1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea

C146H129F10N17O18S5 — CID 158335643

IUPAC1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCCOc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.COc1ncccc1-c1cccnc1[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(C2=CC=CC2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C)c1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1coc2ccccc12
InChIInChI=1S/C32H27F2N3O3S.C30H29F2N3O4S.C29H23F2N3O4S.C28H26F2N4O3S.C27H24F2N4O4S/c1-21-7-2-5-11-30(21)41(39,40)37-32(38)36-29(19-22-17-26(33)20-27(34)18-22)31-28(10-6-16-35-31)25-14-12-24(13-15-25)23-8-3-4-9-23;1-4-39-27-12-11-22(14-20(27)3)25-9-7-13-33-29(25)26(17-21-15-23(31)18-24(32)16-21)34-30(36)35-40(37,38)28-10-6-5-8-19(28)2;1-18-7-2-5-11-27(18)39(36,37)34-29(35)33-25(15-19-13-20(30)16-21(31)14-19)28-23(9-6-12-32-28)24-17-38-26-10-4-3-8-22(24)26;1-17-7-4-5-9-26(17)38(36,37)34-28(35)33-25(15-20-13-21(29)16-22(30)14-20)27-24(8-6-11-32-27)23-10-12-31-19(3)18(23)2;1-17-7-3-4-10-24(17)38(35,36)33-27(34)32-23(15-18-13-19(28)16-20(29)14-18)25-21(8-5-11-30-25)22-9-6-12-31-26(22)37-2/h2-8,10-18,20,29H,9,19H2,1H3,(H2,36,37,38);5-16,18,26H,4,17H2,1-3H3,(H2,34,35,36);2-14,16-17,25H,15H2,1H3,(H2,33,34,35);4-14,16,25H,15H2,1-3H3,(H2,33,34,35);3-14,16,23H,15H2,1-2H3,(H2,32,33,34)/t29-;26-;2*25-;23-/m00000/s1
InChIKeyGQNVRDJISQXPGQ-KDZJKEHCSA-N
MW2760.05 g/mol
LogP28.75
Rot. Bonds39

About 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea

1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 158335643) has the molecular formula C146H129F10N17O18S5 and a molecular weight of 2760.05 g/mol. Its IUPAC name is 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
PubChem CID158335643
Molecular FormulaC146H129F10N17O18S5
Molecular Weight2760.05 g/mol
Exact Mass2757.81
IUPAC Name1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
SMILESCCOc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.COc1ncccc1-c1cccnc1[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(C2=CC=CC2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C)c1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1coc2ccccc12
InChIInChI=1S/C32H27F2N3O3S.C30H29F2N3O4S.C29H23F2N3O4S.C28H26F2N4O3S.C27H24F2N4O4S/c1-21-7-2-5-11-30(21)41(39,40)37-32(38)36-29(19-22-17-26(33)20-27(34)18-22)31-28(10-6-16-35-31)25-14-12-24(13-15-25)23-8-3-4-9-23;1-4-39-27-12-11-22(14-20(27)3)25-9-7-13-33-29(25)26(17-21-15-23(31)18-24(32)16-21)34-30(36)35-40(37,38)28-10-6-5-8-19(28)2;1-18-7-2-5-11-27(18)39(36,37)34-29(35)33-25(15-19-13-20(30)16-21(31)14-19)28-23(9-6-12-32-28)24-17-38-26-10-4-3-8-22(24)26;1-17-7-4-5-9-26(17)38(36,37)34-28(35)33-25(15-20-13-21(29)16-22(30)14-20)27-24(8-6-11-32-27)23-10-12-31-19(3)18(23)2;1-17-7-3-4-10-24(17)38(35,36)33-27(34)32-23(15-18-13-19(28)16-20(29)14-18)25-21(8-5-11-30-25)22-9-6-12-31-26(22)37-2/h2-8,10-18,20,29H,9,19H2,1H3,(H2,36,37,38);5-16,18,26H,4,17H2,1-3H3,(H2,34,35,36);2-14,16-17,25H,15H2,1H3,(H2,33,34,35);4-14,16,25H,15H2,1-3H3,(H2,33,34,35);3-14,16,23H,15H2,1-2H3,(H2,32,33,34)/t29-;26-;2*25-;23-/m00000/s1
InChIKeyGQNVRDJISQXPGQ-KDZJKEHCSA-N
XLogP28.75
TPSA498.18 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002760.05
LogP ≤ 528.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea with MolForge

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Related Compounds

1-[(1S)-1-[3-(benzofuran-3-yl)-2-pyridyl]-2-(3,5-difluorophenyl)ethyl]-3-(o-tolylsulfonyl)urea
CID 118950628
1-[1-[3-(1-Benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950629
1-[1-[3-(1-Benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfanylurea
CID 145032659
N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide
CID 158078511
1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;tert-butyl 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-methylphenyl)sulfonylcarbamoylamino]ethyl]-3-pyridinyl]benzoate;1-[(1S)-1-[3-(4-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-[3-[1-(cyclopropylamino)ethenyl]phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 158599163
1-[(1S)-1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-chlorophenyl)sulfonylurea;1-[(1S)-1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-chlorophenyl)sulfonyl-3-[(1R)-2-(3,5-difluorophenyl)-1-(3-naphthalen-2-yl-2-pyridinyl)ethyl]urea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 160407650
1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-ethylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-thiophen-2-ylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea
CID 160438720
1-[(1S)-1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-chlorophenyl)sulfonylurea;1-[(1S)-1-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxyphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[1-[3-(4-ethoxyphenyl)-2-pyridinyl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 160469198

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea (CID 158335643) is 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea is CCOc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.COc1ncccc1-c1cccnc1[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(C2=CC=CC2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccnc(C)c1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1coc2ccccc12.
What is the InChIKey of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
The InChIKey is GQNVRDJISQXPGQ-KDZJKEHCSA-N. The full InChI is InChI=1S/C32H27F2N3O3S.C30H29F2N3O4S.C29H23F2N3O4S.C28H26F2N4O3S.C27H24F2N4O4S/c1-21-7-2-5-11-30(21)41(39,40)37-32(38)36-29(19-22-17-26(33)20-27(34)18-22)31-28(10-6-16-35-31)25-14-12-24(13-15-25)23-8-3-4-9-23;1-4-39-27-12-11-22(14-20(27)3)25-9-7-13-33-29(25)26(17-21-15-23(31)18-24(32)16-21)34-30(36)35-40(37,38)28-10-6-5-8-19(28)2;1-18-7-2-5-11-27(18)39(36,37)34-29(35)33-25(15-19-13-20(30)16-21(31)14-19)28-23(9-6-12-32-28)24-17-38-26-10-4-3-8-22(24)26;1-17-7-4-5-9-26(17)38(36,37)34-28(35)33-25(15-20-13-21(29)16-22(30)14-20)27-24(8-6-11-32-27)23-10-12-31-19(3)18(23)2;1-17-7-3-4-10-24(17)38(35,36)33-27(34)32-23(15-18-13-19(28)16-20(29)14-18)25-21(8-5-11-30-25)22-9-6-12-31-26(22)37-2/h2-8,10-18,20,29H,9,19H2,1H3,(H2,36,37,38);5-16,18,26H,4,17H2,1-3H3,(H2,34,35,36);2-14,16-17,25H,15H2,1H3,(H2,33,34,35);4-14,16,25H,15H2,1-3H3,(H2,33,34,35);3-14,16,23H,15H2,1-2H3,(H2,32,33,34)/t29-;26-;2*25-;23-/m00000/s1.
What are the key properties of 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea?
1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea has a molecular weight of 2760.05 g/mol, XLogP of 28.75, 39 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-(1-benzofuran-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[3-(4-cyclopenta-1,3-dien-1-ylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2,3-dimethyl-4-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-ethoxy-3-methylphenyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]ethyl]-3-(2-methylphenyl)sulfonylurea is sourced from PubChem (CID 158335643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).