(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide

C19H19N3O2S — CID 40667482

IUPAC(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1C
InChIInChI=1S/C19H19N3O2S/c1-12(23)14-8-4-5-9-15(14)20-18(24)13(2)25-19-21-16-10-6-7-11-17(16)22(19)3/h4-11,13H,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyDGNQDAQLWYOCOI-ZDUSSCGKSA-N
MW353.45 g/mol
LogP3.90
Rot. Bonds5

About (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide

(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 40667482) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID40667482
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1C
InChIInChI=1S/C19H19N3O2S/c1-12(23)14-8-4-5-9-15(14)20-18(24)13(2)25-19-21-16-10-6-7-11-17(16)22(19)3/h4-11,13H,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyDGNQDAQLWYOCOI-ZDUSSCGKSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667483
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 17454322
N-(2-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 46624608
N-(2-acetylphenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51234684
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51209021
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 7024220
(2S)-N-(2-acetylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 27947547
N-[2-(4-methoxyphenyl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51234522
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42975704

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide (CID 40667482) is (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide is CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2n1C.
What is the InChIKey of (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is DGNQDAQLWYOCOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12(23)14-8-4-5-9-15(14)20-18(24)13(2)25-19-21-16-10-6-7-11-17(16)22(19)3/h4-11,13H,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40667482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).