1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide

C20H20F2N2O4S — CID 32902979

IUPAC1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESO=C(CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H20F2N2O4S/c21-16-9-8-14(12-17(16)22)24-18(25)13-23-19(26)20(10-4-5-11-20)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,26)(H,24,25)
InChIKeyDWOKJRMEKDGBJU-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.81
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 32902979) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID32902979
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC Name1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESO=C(CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H20F2N2O4S/c21-16-9-8-14(12-17(16)22)24-18(25)13-23-19(26)20(10-4-5-11-20)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,26)(H,24,25)
InChIKeyDWOKJRMEKDGBJU-UHFFFAOYSA-N
XLogP2.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-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

methyl 5-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-2-fluorobenzoate
CID 30473775
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
3-[[1-(benzenesulfonyl)cyclopentanecarbonyl]amino]-4-fluorobenzoic acid
CID 75414478
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
2-(benzylcarbamothioylamino)-N-(3,4-difluorophenyl)acetamide
CID 8771439
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)cyclopentane-1-carboxamide
CID 17390768
1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 37352937
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 32902979) is 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide is O=C(CNC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is DWOKJRMEKDGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c21-16-9-8-14(12-17(16)22)24-18(25)13-23-19(26)20(10-4-5-11-20)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,26)(H,24,25).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 32902979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).