(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide

C17H17N3OS — CID 7756114

IUPAC(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3OS/c1-11-6-5-7-13(10-11)18-16(21)12(2)22-17-19-14-8-3-4-9-15(14)20-17/h3-10,12H,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyUHGAVXZPKCDXTA-GFCCVEGCSA-N
MW311.41 g/mol
LogP3.99
Rot. Bonds4

About (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide

(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide (PubChem CID 7756114) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
PubChem CID7756114
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N3OS/c1-11-6-5-7-13(10-11)18-16(21)12(2)22-17-19-14-8-3-4-9-15(14)20-17/h3-10,12H,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKeyUHGAVXZPKCDXTA-GFCCVEGCSA-N
XLogP3.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 136685856
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 136684585
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23886514
(2S)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-dichlorophenyl)propanamide
CID 3344758
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
CID 16539514
(2S)-N-(3-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide (CID 7756114) is (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide?
The InChIKey is UHGAVXZPKCDXTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-6-5-7-13(10-11)18-16(21)12(2)22-17-19-14-8-3-4-9-15(14)20-17/h3-10,12H,1-2H3,(H,18,21)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide?
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide has a molecular weight of 311.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7756114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).