N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide

C43H43N7O8S3 — CID 159869499

IUPACN-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C23H22N4O5S.C20H21N3O3S2/c1-31-17-5-8-22(32-2)20(12-17)27-33(29,30)18-6-3-15(4-7-18)13-25-23(28)21-11-16-14-24-10-9-19(16)26-21;24-20(18-12-16-8-9-21-14-19(16)27-18)22-13-15-4-6-17(7-5-15)28(25,26)23-10-2-1-3-11-23/h3-12,14,26-27H,13H2,1-2H3,(H,25,28);4-9,12,14H,1-3,10-11,13H2,(H,22,24)
InChIKeyNSDSCENOWSPMIY-UHFFFAOYSA-N
MW882.06 g/mol
LogP6.71
Rot. Bonds13

About N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 159869499) has the molecular formula C43H43N7O8S3 and a molecular weight of 882.06 g/mol. Its IUPAC name is N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID159869499
Molecular FormulaC43H43N7O8S3
Molecular Weight882.06 g/mol
Exact Mass881.23
IUPAC NameN-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C23H22N4O5S.C20H21N3O3S2/c1-31-17-5-8-22(32-2)20(12-17)27-33(29,30)18-6-3-15(4-7-18)13-25-23(28)21-11-16-14-24-10-9-19(16)26-21;24-20(18-12-16-8-9-21-14-19(16)27-18)22-13-15-4-6-17(7-5-15)28(25,26)23-10-2-1-3-11-23/h3-12,14,26-27H,13H2,1-2H3,(H,25,28);4-9,12,14H,1-3,10-11,13H2,(H,22,24)
InChIKeyNSDSCENOWSPMIY-UHFFFAOYSA-N
XLogP6.71
TPSA201.78 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.06
LogP ≤ 56.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66609492
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012224
N-[[4-[(2-propan-2-yloxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 56943341
N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123840440
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012501
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 28591138
N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609056
N-[[4-(3-fluoro-5-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609762
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123458845
N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 172843439

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 159869499) is N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is NSDSCENOWSPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S.C20H21N3O3S2/c1-31-17-5-8-22(32-2)20(12-17)27-33(29,30)18-6-3-15(4-7-18)13-25-23(28)21-11-16-14-24-10-9-19(16)26-21;24-20(18-12-16-8-9-21-14-19(16)27-18)22-13-15-4-6-17(7-5-15)28(25,26)23-10-2-1-3-11-23/h3-12,14,26-27H,13H2,1-2H3,(H,25,28);4-9,12,14H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 882.06 g/mol, XLogP of 6.71, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159869499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).