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

C16H18N2O4S — CID 9458134

IUPACN-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC=CO2
InChIInChI=1S/C16H18N2O4S/c1-21-13-6-4-12(5-7-13)18-16(20)11-23-10-15(19)17-9-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFUGKSRZIRUVGFW-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.70
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 9458134) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID9458134
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC=CO2
InChIInChI=1S/C16H18N2O4S/c1-21-13-6-4-12(5-7-13)18-16(20)11-23-10-15(19)17-9-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFUGKSRZIRUVGFW-UHFFFAOYSA-N
XLogP1.70
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity386

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide (CID 9458134) is N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide is COC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC=CO2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is FUGKSRZIRUVGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-21-13-6-4-12(5-7-13)18-16(20)11-23-10-15(19)17-9-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 334.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9458134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).