N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

C16H18N2O3S — CID 2239526

IUPACN-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-4-6-13(7-5-12)18-16(20)11-22-10-15(19)17-9-14-3-2-8-21-14/h2-8H,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyDIJVGVWPVGGZLT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.58
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 2239526) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID2239526
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O3S/c1-12-4-6-13(7-5-12)18-16(20)11-22-10-15(19)17-9-14-3-2-8-21-14/h2-8H,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyDIJVGVWPVGGZLT-UHFFFAOYSA-N
XLogP2.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide 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 N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 2239526) is N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is DIJVGVWPVGGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-4-6-13(7-5-12)18-16(20)11-22-10-15(19)17-9-14-3-2-8-21-14/h2-8H,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 2239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).