2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide

C15H18ClN3O2S — CID 40791526

IUPAC2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CSc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-11(9-21-2)18-14(20)10-22-15-17-7-8-19(15)13-5-3-12(16)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyKLPLMASRMBBMJL-NSHDSACASA-N
MW339.85 g/mol
LogP2.77
Rot. Bonds7

About 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 40791526) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID40791526
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CSc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c1-11(9-21-2)18-14(20)10-22-15-17-7-8-19(15)13-5-3-12(16)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyKLPLMASRMBBMJL-NSHDSACASA-N
XLogP2.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 24578161
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 18131158
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4232174
N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 29485995
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3683998
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 7169028
2-[[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 42976695
2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 42988138
2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 18126715
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263793
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 41424799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 40791526) is 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)CSc1nccn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is KLPLMASRMBBMJL-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-11(9-21-2)18-14(20)10-22-15-17-7-8-19(15)13-5-3-12(16)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 339.85 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 40791526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).