N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

C19H19N3OS — CID 866679

IUPACN-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccn2-c2ccccc2)c1
InChIInChI=1S/C19H19N3OS/c1-14-10-15(2)12-16(11-14)21-18(23)13-24-19-20-8-9-22(19)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyVHRGGTDGARUYFT-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.22
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (PubChem CID 866679) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
PubChem CID866679
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2nccn2-c2ccccc2)c1
InChIInChI=1S/C19H19N3OS/c1-14-10-15(2)12-16(11-14)21-18(23)13-24-19-20-8-9-22(19)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyVHRGGTDGARUYFT-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide (CID 866679) is N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nccn2-c2ccccc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is VHRGGTDGARUYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-10-15(2)12-16(11-14)21-18(23)13-24-19-20-8-9-22(19)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 866679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).