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

C16H24N2OS — CID 62723140

IUPACN-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSC2CCCC(C)C2)c(N)c1
InChIInChI=1S/C16H24N2OS/c1-11-4-3-5-13(8-11)20-10-16(19)18-15-7-6-12(2)9-14(15)17/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyRWSIUZMXJAPVET-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.83
Rot. Bonds4

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

N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide (PubChem CID 62723140) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
PubChem CID62723140
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSC2CCCC(C)C2)c(N)c1
InChIInChI=1S/C16H24N2OS/c1-11-4-3-5-13(8-11)20-10-16(19)18-15-7-6-12(2)9-14(15)17/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyRWSIUZMXJAPVET-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.83
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-chlorophenyl)-2-(3-methylcyclohexyl)sulfanylacetamide
CID 62720631
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-amino-4-methylphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 43376622
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441
N-(2-amino-4-methylphenyl)-2-cyclopentyloxyacetamide
CID 43376331
N-(3-amino-2-methylphenyl)-2-cyclopentylsulfanylacetamide
CID 55136606
N-(2-amino-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61297344
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62720451
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide (CID 62723140) is N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide is Cc1ccc(NC(=O)CSC2CCCC(C)C2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
The InChIKey is RWSIUZMXJAPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-4-3-5-13(8-11)20-10-16(19)18-15-7-6-12(2)9-14(15)17/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide?
N-(2-amino-4-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.83, 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-methylphenyl)-2-(3-methylcyclohexyl)sulfanylacetamide is sourced from PubChem (CID 62723140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).