N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C18H17N3OS — CID 866674

IUPACN-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3OS/c1-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22)
InChIKeyKDIVAPYMTVVQNW-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.91
Rot. Bonds5

About N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 866674) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID866674
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3OS/c1-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22)
InChIKeyKDIVAPYMTVVQNW-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[1-(2-methylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
CID 4961785
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4132227
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
CID 10450926
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 2813255
N-hydroxy-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16194795
2-((4-ET-5-(2-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 1990711
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 866674) is N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is KDIVAPYMTVVQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-14-7-9-15(10-8-14)20-17(22)13-23-18-19-11-12-21(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 323.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 866674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).