1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide

C25H32N2O4S — CID 37352937

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)c(C)c1
InChIInChI=1S/C25H32N2O4S/c1-16-12-19(4)23(20(5)13-16)27-22(28)15-26-24(29)25(10-6-7-11-25)32(30,31)21-9-8-17(2)18(3)14-21/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyFTJOXWVEGKEPMI-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.07
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide (PubChem CID 37352937) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
PubChem CID37352937
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)c(C)c1
InChIInChI=1S/C25H32N2O4S/c1-16-12-19(4)23(20(5)13-16)27-22(28)15-26-24(29)25(10-6-7-11-25)32(30,31)21-9-8-17(2)18(3)14-21/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyFTJOXWVEGKEPMI-UHFFFAOYSA-N
XLogP4.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]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

1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 24566519
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
CID 39642729
N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565442
1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484957
1-(3,4-dimethylphenyl)sulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 39643764
methyl 1-(3,4-dimethylphenyl)sulfonylcyclopropane-1-carboxylate
CID 56689977
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570278
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 55961278
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55701441
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783242
(2S)-1-(4-methylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
CID 27782915
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide (CID 37352937) is 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is FTJOXWVEGKEPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-16-12-19(4)23(20(5)13-16)27-22(28)15-26-24(29)25(10-6-7-11-25)32(30,31)21-9-8-17(2)18(3)14-21/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,26,29)(H,27,28).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 456.61 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 37352937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).