N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

C19H19N3O2S — CID 645892

IUPACN-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-3-22-17-7-5-4-6-16(17)21-19(22)25-12-18(24)20-15-10-8-14(9-11-15)13(2)23/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKeyKLTATNKTOZHECN-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.99
Rot. Bonds6

About N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 645892) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID645892
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21
InChIInChI=1S/C19H19N3O2S/c1-3-22-17-7-5-4-6-16(17)21-19(22)25-12-18(24)20-15-10-8-14(9-11-15)13(2)23/h4-11H,3,12H2,1-2H3,(H,20,24)
InChIKeyKLTATNKTOZHECN-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (CID 645892) is N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21.
What is the InChIKey of N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is KLTATNKTOZHECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-22-17-7-5-4-6-16(17)21-19(22)25-12-18(24)20-15-10-8-14(9-11-15)13(2)23/h4-11H,3,12H2,1-2H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).