N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide

C15H21ClN2O2S — CID 63115237

IUPACN-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCS(=O)C1CCCC1
InChIInChI=1S/C15H21ClN2O2S/c16-11-7-8-13(17)14(10-11)18-15(19)6-3-9-21(20)12-4-1-2-5-12/h7-8,10,12H,1-6,9,17H2,(H,18,19)
InChIKeyXJIFYLJRKQKPRC-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.33
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide

N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide (PubChem CID 63115237) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
PubChem CID63115237
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC NameN-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCS(=O)C1CCCC1
InChIInChI=1S/C15H21ClN2O2S/c16-11-7-8-13(17)14(10-11)18-15(19)6-3-9-21(20)12-4-1-2-5-12/h7-8,10,12H,1-6,9,17H2,(H,18,19)
InChIKeyXJIFYLJRKQKPRC-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115224
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
CID 114457006
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860467
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide (CID 63115237) is N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide is Nc1ccc(Cl)cc1NC(=O)CCCS(=O)C1CCCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide?
The InChIKey is XJIFYLJRKQKPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-11-7-8-13(17)14(10-11)18-15(19)6-3-9-21(20)12-4-1-2-5-12/h7-8,10,12H,1-6,9,17H2,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide?
N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide has a molecular weight of 328.86 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide is sourced from PubChem (CID 63115237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).