N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide

C190H194F4N22O28S6 — CID 159383939

IUPACN-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide
SMILESCCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5c(F)cccc5[nH]4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5cc(F)ccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5ncccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5c(F)cccc5[nH]4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5cc(F)ccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5ncccc5o4)C3)cc12
InChIInChI=1S/2C32H33FN4O4S.2C32H32FN3O5S.2C31H32N4O5S/c2*1-5-27(38)29-23-16-22(21-8-7-15-37(18-21)32-34-25-10-6-9-24(33)30(25)35-32)26(36(3)42(4,39)40)17-28(23)41-31(29)20-13-11-19(2)12-14-20;2*1-5-27(37)30-24-16-23(21-7-6-14-36(18-21)32-34-25-15-22(33)12-13-28(25)41-32)26(35(3)42(4,38)39)17-29(24)40-31(30)20-10-8-19(2)9-11-20;2*1-5-25(36)28-23-16-22(21-8-7-15-35(18-21)31-33-30-26(40-31)9-6-14-32-30)24(34(3)41(4,37)38)17-27(23)39-29(28)20-12-10-19(2)11-13-20/h2*6,9-14,16-17,21H,5,7-8,15,18H2,1-4H3,(H,34,35);2*8-13,15-17,21H,5-7,14,18H2,1-4H3;2*6,9-14,16-17,21H,5,7-8,15,18H2,1-4H3/t6*21-/m101010/s1
InChIKeyLLGKVZPNVOBQQB-LRSPPTIASA-N
MW3502.16 g/mol
LogP40.35
Rot. Bonds42

About N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide

N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide (PubChem CID 159383939) has the molecular formula C190H194F4N22O28S6 and a molecular weight of 3502.16 g/mol. Its IUPAC name is N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide
PubChem CID159383939
Molecular FormulaC190H194F4N22O28S6
Molecular Weight3502.16 g/mol
Exact Mass3499.27
IUPAC NameN-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide
SMILESCCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5c(F)cccc5[nH]4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5cc(F)ccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5ncccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5c(F)cccc5[nH]4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5cc(F)ccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5ncccc5o4)C3)cc12
InChIInChI=1S/2C32H33FN4O4S.2C32H32FN3O5S.2C31H32N4O5S/c2*1-5-27(38)29-23-16-22(21-8-7-15-37(18-21)32-34-25-10-6-9-24(33)30(25)35-32)26(36(3)42(4,39)40)17-28(23)41-31(29)20-13-11-19(2)12-14-20;2*1-5-27(37)30-24-16-23(21-7-6-14-36(18-21)32-34-25-15-22(33)12-13-28(25)41-32)26(35(3)42(4,38)39)17-29(24)40-31(30)20-10-8-19(2)9-11-20;2*1-5-25(36)28-23-16-22(21-8-7-15-35(18-21)31-33-30-26(40-31)9-6-14-32-30)24(34(3)41(4,37)38)17-27(23)39-29(28)20-12-10-19(2)11-13-20/h2*6,9-14,16-17,21H,5,7-8,15,18H2,1-4H3,(H,34,35);2*8-13,15-17,21H,5-7,14,18H2,1-4H3;2*6,9-14,16-17,21H,5,7-8,15,18H2,1-4H3/t6*21-/m101010/s1
InChIKeyLLGKVZPNVOBQQB-LRSPPTIASA-N
XLogP40.35
TPSA612.24 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003502.16
LogP ≤ 540.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-methyl-6-(N-(2-morpholinoethyl)methylsulfonamido)-5-(3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)benzofuran-3-carboxamide
CID 53378941
methyl N-[1-[4-[[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-6-yl]-methylsulfonylamino]methyl]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 68239340
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(pyridin-2-ylmethyl)amino]-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 68239447
2-(4-fluorophenyl)-N-methyl-5-(3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)-6-(N-(2-(phenylamino)propyl)methylsulfonamido)benzofuran-3-carboxamide
CID 68239641
5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-(1H-imidazol-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239697
2-(4-fluorophenyl)-N-methyl-5-(3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)-6-(N-(piperidin-4-ylmethyl)methylsulfonamido)benzofuran-3-carboxamide
CID 68240024
CID 89428971
CID 89428971
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrazin-2-yl]-1-benzofuran-3-carboxamide
CID 89436522
(R)-5-(1-(1H-imidazo[4,5-b]pyridine-2-carbonyl)piperidin-3-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 117771481
2-(4-fluorophenyl)-5-[1-(1H-imidazo[4,5-b]pyridine-2-carbonyl)piperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 117771482
(S)-5-(1-(1H-imidazo[4,5-b]pyridine-2-carbonyl)piperidin-3-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 117775796
2-(4-fluorophenyl)-5-[4-methoxy-3-[5-[4-methoxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1,3-benzoxazol-2-yl]phenyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 123270740

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide?
The IUPAC name of N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide (CID 159383939) is N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide.
What is the SMILES notation for N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide?
The canonical SMILES for N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide is CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5c(F)cccc5[nH]4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5cc(F)ccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@@H]3CCCN(c4nc5ncccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5c(F)cccc5[nH]4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5cc(F)ccc5o4)C3)cc12.CCC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c([C@H]3CCCN(c4nc5ncccc5o4)C3)cc12.
What is the InChIKey of N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide?
The InChIKey is LLGKVZPNVOBQQB-LRSPPTIASA-N. The full InChI is InChI=1S/2C32H33FN4O4S.2C32H32FN3O5S.2C31H32N4O5S/c2*1-5-27(38)29-23-16-22(21-8-7-15-37(18-21)32-34-25-10-6-9-24(33)30(25)35-32)26(36(3)42(4,39)40)17-28(23)41-31(29)20-13-11-19(2)12-14-20;2*1-5-27(37)30-24-16-23(21-7-6-14-36(18-21)32-34-25-15-22(33)12-13-28(25)41-32)26(35(3)42(4,38)39)17-29(24)40-31(30)20-10-8-19(2)9-11-20;2*1-5-25(36)28-23-16-22(21-8-7-15-35(18-21)31-33-30-26(40-31)9-6-14-32-30)24(34(3)41(4,37)38)17-27(23)39-29(28)20-12-10-19(2)11-13-20/h2*6,9-14,16-17,21H,5,7-8,15,18H2,1-4H3,(H,34,35);2*8-13,15-17,21H,5-7,14,18H2,1-4H3;2*6,9-14,16-17,21H,5,7-8,15,18H2,1-4H3/t6*21-/m101010/s1.
What are the key properties of N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide?
N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide has a molecular weight of 3502.16 g/mol, XLogP of 40.35, 42 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(4-fluoro-1H-benzimidazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3R)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-[5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3R)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide;N-methyl-N-[2-(4-methylphenyl)-5-[(3S)-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-3-propanoyl-1-benzofuran-6-yl]methanesulfonamide is sourced from PubChem (CID 159383939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).