2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide

C14H21N3O3S — CID 61108810

IUPAC2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
SMILESCc1c(N)cccc1S(=O)(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H21N3O3S/c1-10-12(15)7-4-8-13(10)21(19,20)17(9-14(16)18)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H2,16,18)
InChIKeyJZOHKNAGGLAEQE-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.00
Rot. Bonds5

About 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide

2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide (PubChem CID 61108810) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
PubChem CID61108810
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
SMILESCc1c(N)cccc1S(=O)(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H21N3O3S/c1-10-12(15)7-4-8-13(10)21(19,20)17(9-14(16)18)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H2,16,18)
InChIKeyJZOHKNAGGLAEQE-UHFFFAOYSA-N
XLogP1.00
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.00
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-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539936
2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
CID 60539907
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
3-cyclopentylsulfonyl-2-methylaniline
CID 81190403
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547629
3-[cyclopropyl(ethyl)sulfamoyl]-2-methylbenzoic acid
CID 63743647
3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 43296364
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide (CID 61108810) is 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide is Cc1c(N)cccc1S(=O)(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
The InChIKey is JZOHKNAGGLAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-12(15)7-4-8-13(10)21(19,20)17(9-14(16)18)11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9,15H2,1H3,(H2,16,18).
What are the key properties of 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide is sourced from PubChem (CID 61108810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).