2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide

C16H24N2OS — CID 79148069

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
SMILESCc1cc(SCC(=O)NC2CCCCCC2)ccc1N
InChIInChI=1S/C16H24N2OS/c1-12-10-14(8-9-15(12)17)20-11-16(19)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11,17H2,1H3,(H,18,19)
InChIKeyFHDURUVKQFNWGU-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide (PubChem CID 79148069) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
PubChem CID79148069
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
SMILESCc1cc(SCC(=O)NC2CCCCCC2)ccc1N
InChIInChI=1S/C16H24N2OS/c1-12-10-14(8-9-15(12)17)20-11-16(19)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11,17H2,1H3,(H,18,19)
InChIKeyFHDURUVKQFNWGU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide (CID 79148069) is 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide is Cc1cc(SCC(=O)NC2CCCCCC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide?
The InChIKey is FHDURUVKQFNWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-10-14(8-9-15(12)17)20-11-16(19)18-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide is sourced from PubChem (CID 79148069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).