2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide

C16H18ClN3OS — CID 124754507

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CSc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H18ClN3OS/c1-20-9-8-18-16(20)15(11-2-3-11)19-14(21)10-22-13-6-4-12(17)5-7-13/h4-9,11,15H,2-3,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyODQOENVTKKGTDG-HNNXBMFYSA-N
MW335.86 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 124754507) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID124754507
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1[C@@H](NC(=O)CSc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H18ClN3OS/c1-20-9-8-18-16(20)15(11-2-3-11)19-14(21)10-22-13-6-4-12(17)5-7-13/h4-9,11,15H,2-3,10H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyODQOENVTKKGTDG-HNNXBMFYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91778065
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
CID 95220953
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]propanamide
CID 118793072
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 135119010
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 122566824
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 122565816

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide (CID 124754507) is 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1[C@@H](NC(=O)CSc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is ODQOENVTKKGTDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-20-9-8-18-16(20)15(11-2-3-11)19-14(21)10-22-13-6-4-12(17)5-7-13/h4-9,11,15H,2-3,10H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 124754507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).