(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide

C21H27N3O2S — CID 7492295

IUPAC(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)c1
InChIInChI=1S/C21H27N3O2S/c1-13-14(2)24(19-10-5-6-11-19)21(22-13)27-16(4)20(26)23-18-9-7-8-17(12-18)15(3)25/h7-9,12,16,19H,5-6,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyYNRLZRWEPZINDT-INIZCTEOSA-N
MW385.53 g/mol
LogP4.94
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide

(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide (PubChem CID 7492295) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
PubChem CID7492295
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)c1
InChIInChI=1S/C21H27N3O2S/c1-13-14(2)24(19-10-5-6-11-19)21(22-13)27-16(4)20(26)23-18-9-7-8-17(12-18)15(3)25/h7-9,12,16,19H,5-6,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyYNRLZRWEPZINDT-INIZCTEOSA-N
XLogP4.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 45354140
N-(3-chloro-4-cyanophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 24500003
(2S)-N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 40672630
N-(2-chlorophenyl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 46625671
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41183132
(2S)-N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7649032
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 40657072
(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492408
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 74605508
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-ethylpropanamide
CID 40670044
(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 40633889
2-[[(2R)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 40675733

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide (CID 7492295) is (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide is CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is YNRLZRWEPZINDT-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-13-14(2)24(19-10-5-6-11-19)21(22-13)27-16(4)20(26)23-18-9-7-8-17(12-18)15(3)25/h7-9,12,16,19H,5-6,10-11H2,1-4H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 385.53 g/mol, XLogP of 4.94, 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-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7492295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).