N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide

C20H20N4O2S — CID 1260040

IUPACN-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-15(25)22-17-7-9-18(10-8-17)23-19(26)14-27-20-21-11-12-24(20)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyDKJIFXNUDSBPIW-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.62
Rot. Bonds7

About N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide (PubChem CID 1260040) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
PubChem CID1260040
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C20H20N4O2S/c1-15(25)22-17-7-9-18(10-8-17)23-19(26)14-27-20-21-11-12-24(20)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyDKJIFXNUDSBPIW-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide (CID 1260040) is N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The InChIKey is DKJIFXNUDSBPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-15(25)22-17-7-9-18(10-8-17)23-19(26)14-27-20-21-11-12-24(20)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide has a molecular weight of 380.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 1260040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).