(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide

C10H12INOS — CID 38886412

IUPAC(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)Nc1ccccc1I
InChIInChI=1S/C10H12INOS/c1-7(14-2)10(13)12-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyIFDIFAVMAOQDQT-ZETCQYMHSA-N
MW321.18 g/mol
LogP2.98
Rot. Bonds3

About (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide

(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide (PubChem CID 38886412) has the molecular formula C10H12INOS and a molecular weight of 321.18 g/mol. Its IUPAC name is (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
PubChem CID38886412
Molecular FormulaC10H12INOS
Molecular Weight321.18 g/mol
Exact Mass320.97
IUPAC Name(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)Nc1ccccc1I
InChIInChI=1S/C10H12INOS/c1-7(14-2)10(13)12-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyIFDIFAVMAOQDQT-ZETCQYMHSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide 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

(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
(2R)-N-(2-iodophenyl)-2-phenoxypropanamide
CID 1124071
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 47383171
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
(2R)-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpropanamide
CID 38913650
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide (CID 38886412) is (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide is CS[C@@H](C)C(=O)Nc1ccccc1I.
What is the InChIKey of (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide?
The InChIKey is IFDIFAVMAOQDQT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12INOS/c1-7(14-2)10(13)12-9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide?
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide has a molecular weight of 321.18 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 38886412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).