N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide

C14H20N2O3S — CID 63115519

IUPACN-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
SMILESCc1cc(N)ccc1NC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-10-8-11(15)6-7-13(10)16-14(17)9-20(18,19)12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyVRHVXQSQFCCRQK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.87
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide

N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide (PubChem CID 63115519) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
PubChem CID63115519
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
SMILESCc1cc(N)ccc1NC(=O)CS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-10-8-11(15)6-7-13(10)16-14(17)9-20(18,19)12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyVRHVXQSQFCCRQK-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide 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

N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
CID 60886370
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(4-amino-2-methylphenyl)acetamide
CID 65319594
N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
CID 64696815
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide (CID 63115519) is N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide is Cc1cc(N)ccc1NC(=O)CS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide?
The InChIKey is VRHVXQSQFCCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-11(15)6-7-13(10)16-14(17)9-20(18,19)12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide?
N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide is sourced from PubChem (CID 63115519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).