N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide

C21H25N3O2S — CID 53251719

IUPACN-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C21H25N3O2S/c1-27(25,26)24-18-10-8-16(9-11-18)19(13-15-5-2-3-6-15)20-14-17-7-4-12-22-21(17)23-20/h4,7-12,14-15,19,24H,2-3,5-6,13H2,1H3,(H,22,23)
InChIKeyGUMLJAUYMDKPDP-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.65
Rot. Bonds6

About N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide

N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 53251719) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide
PubChem CID53251719
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C21H25N3O2S/c1-27(25,26)24-18-10-8-16(9-11-18)19(13-15-5-2-3-6-15)20-14-17-7-4-12-22-21(17)23-20/h4,7-12,14-15,19,24H,2-3,5-6,13H2,1H3,(H,22,23)
InChIKeyGUMLJAUYMDKPDP-UHFFFAOYSA-N
XLogP4.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]pentan-3-one
CID 151469768
2-[1-(3-chloro-4-diethoxyphosphorylphenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
CID 127041335
2-chloro-4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzonitrile
CID 127040026
2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
CID 127041338
1-[2-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(dimethylamino)propan-2-one
CID 58305242
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
5-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-3-methyl-1H-pyrrole-2-carboxylic acid
CID 59331360
2-[2-cyclopentyl-2-(5-methylsulfonyl-2-pyridinyl)ethyl]-1H-pyrrolo[2,3-b]pyridine
CID 67256254
4-[5-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrol-2-yl]-1-methylimidazole
CID 59331505
2-[(1R)-2-cyclopentyl-1-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 53251410
2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine
CID 59331433
ethyl 5-[2-cyclopentyl-1-(4-methylsulfonylphenyl)ethyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 59331259

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide (CID 53251719) is N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is GUMLJAUYMDKPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-27(25,26)24-18-10-8-16(9-11-18)19(13-15-5-2-3-6-15)20-14-17-7-4-12-22-21(17)23-20/h4,7-12,14-15,19,24H,2-3,5-6,13H2,1H3,(H,22,23).
What are the key properties of N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide?
N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 53251719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).