2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide

C11H10ClN3OS — CID 60968216

IUPAC2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ncc[nH]1
InChIInChI=1S/C11H10ClN3OS/c12-8-1-3-9(4-2-8)17-7-10(16)15-11-13-5-6-14-11/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyQTYAXXNFWJWLAY-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.79
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide (PubChem CID 60968216) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide
PubChem CID60968216
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ncc[nH]1
InChIInChI=1S/C11H10ClN3OS/c12-8-1-3-9(4-2-8)17-7-10(16)15-11-13-5-6-14-11/h1-6H,7H2,(H2,13,14,15,16)
InChIKeyQTYAXXNFWJWLAY-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
CID 55212765
2-(4-chlorophenyl)sulfanyl-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162631847
2-(4-chlorophenyl)sulfanyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55921251
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
2-(3,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)acetamide
CID 60968109
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide (CID 60968216) is 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ncc[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is QTYAXXNFWJWLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-8-1-3-9(4-2-8)17-7-10(16)15-11-13-5-6-14-11/h1-6H,7H2,(H2,13,14,15,16).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 267.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 60968216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).