3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide

C10H11ClN2OS — CID 28967971

IUPAC3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
SMILESCc1ccc(NC(=O)CC(N)=S)c(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-6-2-3-8(7(11)4-6)13-10(14)5-9(12)15/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyPGKVGDDZEPRECW-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.26
Rot. Bonds3

About 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide

3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide (PubChem CID 28967971) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
PubChem CID28967971
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
SMILESCc1ccc(NC(=O)CC(N)=S)c(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-6-2-3-8(7(11)4-6)13-10(14)5-9(12)15/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyPGKVGDDZEPRECW-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide 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-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
[2-(2-chloro-4-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060956
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085795
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263865
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide (CID 28967971) is 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide is Cc1ccc(NC(=O)CC(N)=S)c(Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide?
The InChIKey is PGKVGDDZEPRECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6-2-3-8(7(11)4-6)13-10(14)5-9(12)15/h2-4H,5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide?
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide has a molecular weight of 242.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 28967971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).