N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide

C11H14N2O2S — CID 123651452

IUPACN-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide
SMILESCC(=O)NC(=O)NSc1ccc(C)cc1C
InChIInChI=1S/C11H14N2O2S/c1-7-4-5-10(8(2)6-7)16-13-11(15)12-9(3)14/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyUIWVPVUTEZAWOS-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.16
Rot. Bonds2

About N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide

N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide (PubChem CID 123651452) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide
PubChem CID123651452
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide
SMILESCC(=O)NC(=O)NSc1ccc(C)cc1C
InChIInChI=1S/C11H14N2O2S/c1-7-4-5-10(8(2)6-7)16-13-11(15)12-9(3)14/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyUIWVPVUTEZAWOS-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide (CID 123651452) is N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide is CC(=O)NC(=O)NSc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide?
The InChIKey is UIWVPVUTEZAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-4-5-10(8(2)6-7)16-13-11(15)12-9(3)14/h4-6H,1-3H3,(H2,12,13,14,15).
What are the key properties of N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide?
N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide has a molecular weight of 238.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)sulfanylcarbamoyl]acetamide is sourced from PubChem (CID 123651452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).