N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C20H22N4O3S — CID 134132017

IUPACN-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C20H22N4O3S/c25-20(19-11-15-13-21-10-9-18(15)23-19)22-12-14-5-7-16(8-6-14)24-28(26,27)17-3-1-2-4-17/h5-11,13,17,23-24H,1-4,12H2,(H,22,25)
InChIKeyOMXUTMOTZCFLDJ-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.18
Rot. Bonds6

About N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 134132017) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID134132017
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C20H22N4O3S/c25-20(19-11-15-13-21-10-9-18(15)23-19)22-12-14-5-7-16(8-6-14)24-28(26,27)17-3-1-2-4-17/h5-11,13,17,23-24H,1-4,12H2,(H,22,25)
InChIKeyOMXUTMOTZCFLDJ-UHFFFAOYSA-N
XLogP3.18
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-propan-2-ylpiperidin-4-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118005466
N-[[4-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613453
N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66609492
N-[[4-[(2-propan-2-yloxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 56943341
N-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66611916
N-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613869
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
3-[4-(cyclohexylmethylsulfonyl)phenyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)propan-1-one
CID 157125741
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
CID 106911163
N-[[1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 167876966
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
CID 71476191
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 134132017) is N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ccc(NS(=O)(=O)C2CCCC2)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is OMXUTMOTZCFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(19-11-15-13-21-10-9-18(15)23-19)22-12-14-5-7-16(8-6-14)24-28(26,27)17-3-1-2-4-17/h5-11,13,17,23-24H,1-4,12H2,(H,22,25).
What are the key properties of N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopentylsulfonylamino)phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 134132017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).