(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide

C19H23ClFN3OS — CID 7492408

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
SMILESCc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n(C2CCCC2)c1C
InChIInChI=1S/C19H23ClFN3OS/c1-11-12(2)24(15-6-4-5-7-15)19(22-11)26-13(3)18(25)23-17-9-8-14(21)10-16(17)20/h8-10,13,15H,4-7H2,1-3H3,(H,23,25)/t13-/m0/s1
InChIKeyTUIFEJUAFZOLEP-ZDUSSCGKSA-N
MW395.93 g/mol
LogP5.53
Rot. Bonds5

About (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide (PubChem CID 7492408) has the molecular formula C19H23ClFN3OS and a molecular weight of 395.93 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
PubChem CID7492408
Molecular FormulaC19H23ClFN3OS
Molecular Weight395.93 g/mol
Exact Mass395.12
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
SMILESCc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n(C2CCCC2)c1C
InChIInChI=1S/C19H23ClFN3OS/c1-11-12(2)24(15-6-4-5-7-15)19(22-11)26-13(3)18(25)23-17-9-8-14(21)10-16(17)20/h8-10,13,15H,4-7H2,1-3H3,(H,23,25)/t13-/m0/s1
InChIKeyTUIFEJUAFZOLEP-ZDUSSCGKSA-N
XLogP5.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,5-dichloro-2-pyridinyl)propanamide
CID 40633889
N-(3-chloro-4-cyanophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 24500003
2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 74605508
N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 45354140
(2S)-N-(3-acetylphenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 7492295
(2R)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-cyclopropylpropanamide
CID 40657072
(2S)-N-(2-chloro-4-fluorophenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7426822
(2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 9141772
(2S)-N-(1,3-benzodioxol-5-yl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide
CID 40672630
(2S)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-ethylpropanamide
CID 40670044
(2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 9272935

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide (CID 7492408) is (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide is Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n(C2CCCC2)c1C.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is TUIFEJUAFZOLEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23ClFN3OS/c1-11-12(2)24(15-6-4-5-7-15)19(22-11)26-13(3)18(25)23-17-9-8-14(21)10-16(17)20/h8-10,13,15H,4-7H2,1-3H3,(H,23,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 395.93 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7492408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).