2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide

C21H24N2O3S — CID 126781189

IUPAC2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1(Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2
InChIInChI=1S/C21H24N2O3S/c1-21(15-16-6-3-2-4-7-16)11-5-12-23(21)20(24)22-18-9-8-17-10-13-27(25,26)19(17)14-18/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,24)
InChIKeyWJPZCNXAYHCHTG-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.65
Rot. Bonds3

About 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide

2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 126781189) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide
PubChem CID126781189
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1(Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2
InChIInChI=1S/C21H24N2O3S/c1-21(15-16-6-3-2-4-7-16)11-5-12-23(21)20(24)22-18-9-8-17-10-13-27(25,26)19(17)14-18/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,24)
InChIKeyWJPZCNXAYHCHTG-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide 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

1-[4-[[Benzyl(propyl)amino]methyl]phenyl]-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 141738525
(1R,5S)-3-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190908
5-ethyl-1-(4-methylphenyl)-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1,3-dihydro-2H-imidazol-2-one
CID 2765982
(1R,5S)-3-(benzenesulfonyl)-N-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190811
3-[1-(Ethanesulfonyl)-2,3-dihydro-1H-indol-6-YL]-1-[3-(methylsulfanyl)phenyl]urea
CID 46386100
US10807988, Example SC_3265
CID 130200877
US10807988, Example SC_3318
CID 130200943
US10807988, Example SC_3123
CID 130201049
US10807988, Example SC_3264
CID 130201120
(1R,5S)-3-(benzenesulfonyl)-N-(4-phenylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190998
1'-[2-(benzenesulfonyl)ethyl]-N-ethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 172437039
3-(1-Methanesulfonyl-2,3-dihydro-1H-indol-6-YL)-1-[3-(methylsulfanyl)phenyl]urea
CID 46386193

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide (CID 126781189) is 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide is CC1(Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2.
What is the InChIKey of 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is WJPZCNXAYHCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-21(15-16-6-3-2-4-7-16)11-5-12-23(21)20(24)22-18-9-8-17-10-13-27(25,26)19(17)14-18/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,24).
What are the key properties of 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide?
2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126781189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).