(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide

C11H13ClN2O2S — CID 59293509

IUPAC(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
SMILESCC(=O)N[C@@H](CS)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O2S/c1-7(15)13-10(6-17)11(16)14-9-5-3-2-4-8(9)12/h2-5,10,17H,6H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyKKKARGHOLUSDDC-JTQLQIEISA-N
MW272.76 g/mol
LogP1.71
Rot. Bonds4

About (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide

(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide (PubChem CID 59293509) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
PubChem CID59293509
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
SMILESCC(=O)N[C@@H](CS)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O2S/c1-7(15)13-10(6-17)11(16)14-9-5-3-2-4-8(9)12/h2-5,10,17H,6H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyKKKARGHOLUSDDC-JTQLQIEISA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide 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-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide
CID 107768918
2-acetamido-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769554
2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide
CID 102203779
2-acetamido-N-(2-chlorophenyl)-2-cyclopentylacetamide
CID 42885299
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
2-acetamido-N-(4-methyl-3-pyridinyl)-3-sulfanylpropanamide
CID 107769542
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide
CID 107769794
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide (CID 59293509) is (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide is CC(=O)N[C@@H](CS)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide?
The InChIKey is KKKARGHOLUSDDC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c1-7(15)13-10(6-17)11(16)14-9-5-3-2-4-8(9)12/h2-5,10,17H,6H2,1H3,(H,13,15)(H,14,16)/t10-/m0/s1.
What are the key properties of (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide?
(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide has a molecular weight of 272.76 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 59293509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).