2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide

C14H20N2O3S — CID 81191498

IUPAC2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
SMILESCc1cc(N)ccc1S(=O)(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-10-8-11(15)6-7-13(10)20(18,19)9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyVTERUEYKSJZNMO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.41
Rot. Bonds4

About 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide

2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide (PubChem CID 81191498) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
PubChem CID81191498
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
SMILESCc1cc(N)ccc1S(=O)(=O)CC(=O)NC1CCCC1
InChIInChI=1S/C14H20N2O3S/c1-10-8-11(15)6-7-13(10)20(18,19)9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17)
InChIKeyVTERUEYKSJZNMO-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylphenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 81193116
2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
CID 81185115
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride
CID 82911512
4-cyclohexylsulfonyl-3-methylaniline
CID 81193220
2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
CID 63098200
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
N-(4-amino-2-methylphenyl)-2-cyclopentylsulfonylacetamide
CID 63115519
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide (CID 81191498) is 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide is Cc1cc(N)ccc1S(=O)(=O)CC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide?
The InChIKey is VTERUEYKSJZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-11(15)6-7-13(10)20(18,19)9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide?
2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide is sourced from PubChem (CID 81191498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).