(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide

C19H18ClN3O2S — CID 94777199

IUPAC(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide
SMILESCOc1ccc(Sc2ccc(NC(=O)[C@H](C)n3ccnc3)cc2Cl)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13(23-10-9-21-12-23)19(24)22-14-3-8-18(17(20)11-14)26-16-6-4-15(25-2)5-7-16/h3-13H,1-2H3,(H,22,24)/t13-/m0/s1
InChIKeyYBZIAOFKFKCOFG-ZDUSSCGKSA-N
MW387.89 g/mol
LogP4.90
Rot. Bonds6

About (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide

(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide (PubChem CID 94777199) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide
PubChem CID94777199
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide
SMILESCOc1ccc(Sc2ccc(NC(=O)[C@H](C)n3ccnc3)cc2Cl)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-13(23-10-9-21-12-23)19(24)22-14-3-8-18(17(20)11-14)26-16-6-4-15(25-2)5-7-16/h3-13H,1-2H3,(H,22,24)/t13-/m0/s1
InChIKeyYBZIAOFKFKCOFG-ZDUSSCGKSA-N
XLogP4.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
CID 71421286
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
(2R)-2-imidazol-1-yl-N-[1-(4-methoxyphenyl)piperidin-4-yl]propanamide
CID 95291018
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 95062265
N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
CID 56784832
methyl 2-[[(2R)-2-imidazol-1-ylpropanoyl]amino]-5-propan-2-ylbenzoate
CID 95302502
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide (CID 94777199) is (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide is COc1ccc(Sc2ccc(NC(=O)[C@H](C)n3ccnc3)cc2Cl)cc1.
What is the InChIKey of (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide?
The InChIKey is YBZIAOFKFKCOFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-13(23-10-9-21-12-23)19(24)22-14-3-8-18(17(20)11-14)26-16-6-4-15(25-2)5-7-16/h3-13H,1-2H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide?
(2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide has a molecular weight of 387.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-4-(4-methoxyphenyl)sulfanylphenyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 94777199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).