(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide

C18H15ClFN3OS — CID 25390555

IUPAC(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
SMILESC[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H15ClFN3OS/c1-12(17(24)22-16-8-3-2-7-15(16)20)25-18-21-9-10-23(18)14-6-4-5-13(19)11-14/h2-12H,1H3,(H,22,24)/t12-/m0/s1
InChIKeyZWVLTDUBJJXXGB-LBPRGKRZSA-N
MW375.86 g/mol
LogP4.78
Rot. Bonds5

About (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide

(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide (PubChem CID 25390555) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
PubChem CID25390555
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC Name(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
SMILESC[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H15ClFN3OS/c1-12(17(24)22-16-8-3-2-7-15(16)20)25-18-21-9-10-23(18)14-6-4-5-13(19)11-14/h2-12H,1H3,(H,22,24)/t12-/m0/s1
InChIKeyZWVLTDUBJJXXGB-LBPRGKRZSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43024379
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide
CID 46811455
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51235651
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 42944877
(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675180
(2S)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675179
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839
2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 55569321
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide (CID 25390555) is (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide is C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide?
The InChIKey is ZWVLTDUBJJXXGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c1-12(17(24)22-16-8-3-2-7-15(16)20)25-18-21-9-10-23(18)14-6-4-5-13(19)11-14/h2-12H,1H3,(H,22,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide?
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide has a molecular weight of 375.86 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 25390555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).