N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C19H19N3OS — CID 3353341

IUPACN-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-22-13-12-20-19(22)24-14-17(23)21-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23)
InChIKeyKAQJWDFHQLCIRS-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.42
Rot. Bonds6

About N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 3353341) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID3353341
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCn1ccnc1SCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-22-13-12-20-19(22)24-14-17(23)21-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23)
InChIKeyKAQJWDFHQLCIRS-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 3353341) is N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide is Cn1ccnc1SCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is KAQJWDFHQLCIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22-13-12-20-19(22)24-14-17(23)21-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,14H2,1H3,(H,21,23).
What are the key properties of N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 3353341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).