2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

C16H18N2O3S — CID 4785925

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12(19)17-13-5-7-15(8-6-13)22-11-16(20)18(2)10-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyNFIZIBLYKDYNDT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide

2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 4785925) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID4785925
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12(19)17-13-5-7-15(8-6-13)22-11-16(20)18(2)10-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,19)
InChIKeyNFIZIBLYKDYNDT-UHFFFAOYSA-N
XLogP2.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide (CID 4785925) is 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide is CC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is NFIZIBLYKDYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12(19)17-13-5-7-15(8-6-13)22-11-16(20)18(2)10-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 4785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).