3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one

C155H173BrClFN20O24S9 — CID 160817103

IUPAC3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
SMILESCOc1ccc2c(c1)CC(C(=O)NCc1ccc(S(=O)(=O)N3CCCCC3)cc1)=C2.COc1ccc2cc(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)nc2c1.Cc1cc(C)n2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1.Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cn12.Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc12.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=C(Br)c2ccccc2C1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C24H26N2O4S.C23H26N2O4S.C22H23BrN2O3S.C22H26N4O4S.C22H28N4O3S2.C21H20ClFN2O3S2.C21H24N4O3S/c1-17-22(15-19-8-9-20(30-2)16-23(19)25-17)24(27)12-7-18-5-10-21(11-6-18)31(28,29)26-13-3-4-14-26;1-29-21-8-7-18-13-20(14-19(18)15-21)23(26)24-16-17-5-9-22(10-6-17)30(27,28)25-11-3-2-4-12-25;23-21-19-7-3-2-6-17(19)14-20(21)22(26)24-15-16-8-10-18(11-9-16)29(27,28)25-12-4-1-5-13-25;1-15-14-16(2)26-22(23-15)21(17(3)24-26)20(27)9-6-18-4-7-19(8-5-18)31(28,29)25-10-12-30-13-11-25;1-15(2)14-26-22-19(16(3)24-26)12-20(30-22)21(27)23-13-17-6-8-18(9-7-17)31(28,29)25-10-4-5-11-25;22-19-17-9-6-15(23)12-18(17)29-20(19)21(26)24-13-14-4-7-16(8-5-14)30(27,28)25-10-2-1-3-11-25;1-16-6-5-7-20-23-19(15-25(16)20)21(26)22-14-17-8-10-18(11-9-17)29(27,28)24-12-3-2-4-13-24/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3;5-10,13,15H,2-4,11-12,14,16H2,1H3,(H,24,26);2-3,6-11H,1,4-5,12-15H2,(H,24,26);4-5,7-8,14H,6,9-13H2,1-3H3;6-9,12,15H,4-5,10-11,13-14H2,1-3H3,(H,23,27);4-9,12H,1-3,10-11,13H2,(H,24,26);5-11,15H,2-4,12-14H2,1H3,(H,22,26)
InChIKeySFAUYKUVHRRUFI-UHFFFAOYSA-N
MW3123.16 g/mol
LogP24.93
Rot. Bonds41

About 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one

3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one (PubChem CID 160817103) has the molecular formula C155H173BrClFN20O24S9 and a molecular weight of 3123.16 g/mol. Its IUPAC name is 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
PubChem CID160817103
Molecular FormulaC155H173BrClFN20O24S9
Molecular Weight3123.16 g/mol
Exact Mass3118.93
IUPAC Name3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
SMILESCOc1ccc2c(c1)CC(C(=O)NCc1ccc(S(=O)(=O)N3CCCCC3)cc1)=C2.COc1ccc2cc(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)nc2c1.Cc1cc(C)n2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1.Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cn12.Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc12.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=C(Br)c2ccccc2C1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C24H26N2O4S.C23H26N2O4S.C22H23BrN2O3S.C22H26N4O4S.C22H28N4O3S2.C21H20ClFN2O3S2.C21H24N4O3S/c1-17-22(15-19-8-9-20(30-2)16-23(19)25-17)24(27)12-7-18-5-10-21(11-6-18)31(28,29)26-13-3-4-14-26;1-29-21-8-7-18-13-20(14-19(18)15-21)23(26)24-16-17-5-9-22(10-6-17)30(27,28)25-11-3-2-4-12-25;23-21-19-7-3-2-6-17(19)14-20(21)22(26)24-15-16-8-10-18(11-9-16)29(27,28)25-12-4-1-5-13-25;1-15-14-16(2)26-22(23-15)21(17(3)24-26)20(27)9-6-18-4-7-19(8-5-18)31(28,29)25-10-12-30-13-11-25;1-15(2)14-26-22-19(16(3)24-26)12-20(30-22)21(27)23-13-17-6-8-18(9-7-17)31(28,29)25-10-4-5-11-25;22-19-17-9-6-15(23)12-18(17)29-20(19)21(26)24-13-14-4-7-16(8-5-14)30(27,28)25-10-2-1-3-11-25;1-16-6-5-7-20-23-19(15-25(16)20)21(26)22-14-17-8-10-18(11-9-17)29(27,28)24-12-3-2-4-13-24/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3;5-10,13,15H,2-4,11-12,14,16H2,1H3,(H,24,26);2-3,6-11H,1,4-5,12-15H2,(H,24,26);4-5,7-8,14H,6,9-13H2,1-3H3;6-9,12,15H,4-5,10-11,13-14H2,1-3H3,(H,23,27);4-9,12H,1-3,10-11,13H2,(H,24,26);5-11,15H,2-4,12-14H2,1H3,(H,22,26)
InChIKeySFAUYKUVHRRUFI-UHFFFAOYSA-N
XLogP24.93
TPSA547.19 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003123.16
LogP ≤ 524.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one with MolForge

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Related Compounds

2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-4-carboxamide;1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;1-(3H-inden-1-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)propan-1-one
CID 158655179
5-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;2-ethyl-4,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[1-(2-methylpropyl)indol-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-propan-2-ylquinoline-4-carboxamide;3,4,7-trimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 159408749
1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
CID 161015041
1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;4-ethyl-6,7-dimethoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
CID 161771872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
The IUPAC name of 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one (CID 160817103) is 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one.
What is the SMILES notation for 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
The canonical SMILES for 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one is COc1ccc2c(c1)CC(C(=O)NCc1ccc(S(=O)(=O)N3CCCCC3)cc1)=C2.COc1ccc2cc(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)nc2c1.Cc1cc(C)n2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1.Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cn12.Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc12.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=C(Br)c2ccccc2C1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
The InChIKey is SFAUYKUVHRRUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S.C23H26N2O4S.C22H23BrN2O3S.C22H26N4O4S.C22H28N4O3S2.C21H20ClFN2O3S2.C21H24N4O3S/c1-17-22(15-19-8-9-20(30-2)16-23(19)25-17)24(27)12-7-18-5-10-21(11-6-18)31(28,29)26-13-3-4-14-26;1-29-21-8-7-18-13-20(14-19(18)15-21)23(26)24-16-17-5-9-22(10-6-17)30(27,28)25-11-3-2-4-12-25;23-21-19-7-3-2-6-17(19)14-20(21)22(26)24-15-16-8-10-18(11-9-16)29(27,28)25-12-4-1-5-13-25;1-15-14-16(2)26-22(23-15)21(17(3)24-26)20(27)9-6-18-4-7-19(8-5-18)31(28,29)25-10-12-30-13-11-25;1-15(2)14-26-22-19(16(3)24-26)12-20(30-22)21(27)23-13-17-6-8-18(9-7-17)31(28,29)25-10-4-5-11-25;22-19-17-9-6-15(23)12-18(17)29-20(19)21(26)24-13-14-4-7-16(8-5-14)30(27,28)25-10-2-1-3-11-25;1-16-6-5-7-20-23-19(15-25(16)20)21(26)22-14-17-8-10-18(11-9-17)29(27,28)24-12-3-2-4-13-24/h5-6,8-11,15-16H,3-4,7,12-14H2,1-2H3;5-10,13,15H,2-4,11-12,14,16H2,1H3,(H,24,26);2-3,6-11H,1,4-5,12-15H2,(H,24,26);4-5,7-8,14H,6,9-13H2,1-3H3;6-9,12,15H,4-5,10-11,13-14H2,1-3H3,(H,23,27);4-9,12H,1-3,10-11,13H2,(H,24,26);5-11,15H,2-4,12-14H2,1H3,(H,22,26).
What are the key properties of 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one has a molecular weight of 3123.16 g/mol, XLogP of 24.93, 41 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-chloro-6-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(7-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;6-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indene-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;3-(4-morpholin-4-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one is sourced from PubChem (CID 160817103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).