(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide

C20H19N3O2S — CID 40608479

IUPAC(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1
InChIInChI=1S/C20H19N3O2S/c1-14(24)16-9-6-10-17(13-16)22-19(25)18(15-7-4-3-5-8-15)26-20-21-11-12-23(20)2/h3-13,18H,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyHPJHSXLXXBDEBM-SFHVURJKSA-N
MW365.46 g/mol
LogP4.09
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide

(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 40608479) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID40608479
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1
InChIInChI=1S/C20H19N3O2S/c1-14(24)16-9-6-10-17(13-16)22-19(25)18(15-7-4-3-5-8-15)26-20-21-11-12-23(20)2/h3-13,18H,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyHPJHSXLXXBDEBM-SFHVURJKSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide 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

(2R)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529142
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 37323378
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2430883
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16508641
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 46812114
(2R)-N-(3-acetylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 2470602
(2S)-N-(2-chloro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 40529153
N-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 5110828
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 46658289
N-(3-acetylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55368272

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 40608479) is (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is HPJHSXLXXBDEBM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(24)16-9-6-10-17(13-16)22-19(25)18(15-7-4-3-5-8-15)26-20-21-11-12-23(20)2/h3-13,18H,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 365.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 40608479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).