(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide

C25H23N3OS — CID 40510794

IUPAC(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H23N3OS/c1-18(30-25-26-17-23(28(25)2)20-13-7-4-8-14-20)24(29)27-22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-18H,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyWJDAKERNYBWACY-SFHVURJKSA-N
MW413.55 g/mol
LogP5.87
Rot. Bonds6

About (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide

(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 40510794) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID40510794
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C25H23N3OS/c1-18(30-25-26-17-23(28(25)2)20-13-7-4-8-14-20)24(29)27-22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-18H,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeyWJDAKERNYBWACY-SFHVURJKSA-N
XLogP5.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide 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

N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 40670366
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51236618
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 112782360
(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 40795328
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 51236617
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
(2R)-2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 41190026
(2S)-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-phenylpropanamide
CID 40518760
(2S)-N-(2-phenylphenyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 2617619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide (CID 40510794) is (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide is C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is WJDAKERNYBWACY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-18(30-25-26-17-23(28(25)2)20-13-7-4-8-14-20)24(29)27-22-16-10-9-15-21(22)19-11-5-3-6-12-19/h3-18H,1-2H3,(H,27,29)/t18-/m0/s1.
What are the key properties of (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide?
(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 413.55 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 40510794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).