N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide

C19H17N3O2S — CID 40511037

IUPACN-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
SMILESCn1ccnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-22-12-11-20-19(22)25-13-17(23)14-7-9-16(10-8-14)21-18(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,24)
InChIKeyAFEINJFHXDZTLR-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.65
Rot. Bonds6

About N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide

N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide (PubChem CID 40511037) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
PubChem CID40511037
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
SMILESCn1ccnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S/c1-22-12-11-20-19(22)25-13-17(23)14-7-9-16(10-8-14)21-18(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,24)
InChIKeyAFEINJFHXDZTLR-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
N-methyl-3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]benzamide
CID 24620396
1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 724945
N-(2-methoxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 4878749
2-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 43412452
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25358395
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanone;hydrobromide
CID 17386104
N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
CID 27139618
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18073833
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648848
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-phenoxybutyl)benzamide
CID 16599392
N-[4-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]benzamide
CID 46818032

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide (CID 40511037) is N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide is Cn1ccnc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide?
The InChIKey is AFEINJFHXDZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-22-12-11-20-19(22)25-13-17(23)14-7-9-16(10-8-14)21-18(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide?
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide is sourced from PubChem (CID 40511037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).