N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide

C15H21ClN2OS — CID 62720631

IUPACN-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
SMILESCC1CCCC(SCC(=O)Nc2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H21ClN2OS/c1-10-3-2-4-12(7-10)20-9-15(19)18-14-6-5-11(16)8-13(14)17/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19)
InChIKeyJALAZPXIOIMZHL-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.17
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide

N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide (PubChem CID 62720631) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
PubChem CID62720631
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
SMILESCC1CCCC(SCC(=O)Nc2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H21ClN2OS/c1-10-3-2-4-12(7-10)20-9-15(19)18-14-6-5-11(16)8-13(14)17/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19)
InChIKeyJALAZPXIOIMZHL-UHFFFAOYSA-N
XLogP4.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.17
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-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
CID 62723140
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62720451
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
3-amino-4-[(3-methylcyclohexyl)sulfanylmethyl]benzamide
CID 62720802
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide (CID 62720631) is N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide is CC1CCCC(SCC(=O)Nc2ccc(Cl)cc2N)C1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
The InChIKey is JALAZPXIOIMZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-10-3-2-4-12(7-10)20-9-15(19)18-14-6-5-11(16)8-13(14)17/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide has a molecular weight of 312.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide is sourced from PubChem (CID 62720631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).