N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

C18H18N4O3S — CID 7151132

IUPACN-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13(23)20-14-4-6-15(7-5-14)21-17(24)12-26-18-19-8-9-22(18)11-16-3-2-10-25-16/h2-10H,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyMOWHUMAWZRVITQ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.21
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7151132) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7151132
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13(23)20-14-4-6-15(7-5-14)21-17(24)12-26-18-19-8-9-22(18)11-16-3-2-10-25-16/h2-10H,11-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyMOWHUMAWZRVITQ-UHFFFAOYSA-N
XLogP3.21
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 7151132) is N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is MOWHUMAWZRVITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13(23)20-14-4-6-15(7-5-14)21-17(24)12-26-18-19-8-9-22(18)11-16-3-2-10-25-16/h2-10H,11-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 370.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).