2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide

C19H16ClN3O2S — CID 18192837

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-23-11-10-21-19(23)18(25)13-2-6-15(7-3-13)22-17(24)12-26-16-8-4-14(20)5-9-16/h2-11H,12H2,1H3,(H,22,24)
InChIKeyONYSCHQWWFSOAA-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.04
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide (PubChem CID 18192837) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
PubChem CID18192837
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-23-11-10-21-19(23)18(25)13-2-6-15(7-3-13)22-17(24)12-26-16-8-4-14(20)5-9-16/h2-11H,12H2,1H3,(H,22,24)
InChIKeyONYSCHQWWFSOAA-UHFFFAOYSA-N
XLogP4.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 75416497
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
4-chloro-N-[1-[4-(1-methylimidazole-2-carbonyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 60521865
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 30970419
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 31933905
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192836
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide (CID 18192837) is 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The InChIKey is ONYSCHQWWFSOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-23-11-10-21-19(23)18(25)13-2-6-15(7-3-13)22-17(24)12-26-16-8-4-14(20)5-9-16/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide has a molecular weight of 385.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 18192837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).