N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide

C14H14N2O3S — CID 9402829

IUPACN-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCSc1cccc(NC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C14H14N2O3S/c1-20-11-5-2-4-10(8-11)16-13(17)9-15-14(18)12-6-3-7-19-12/h2-8H,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyZTXZVZCPZHQPPV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 9402829) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID9402829
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCSc1cccc(NC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C14H14N2O3S/c1-20-11-5-2-4-10(8-11)16-13(17)9-15-14(18)12-6-3-7-19-12/h2-8H,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyZTXZVZCPZHQPPV-UHFFFAOYSA-N
XLogP2.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
4-bromo-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9402849
4-tert-butyl-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 27229119
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27119061
N-[2-(2,6-difluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 110698062
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
3,4,5-trimethoxy-N-[2-(3-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 17475270
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]furan-2-carboxamide
CID 25331932
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide (CID 9402829) is N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide is CSc1cccc(NC(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZTXZVZCPZHQPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20-11-5-2-4-10(8-11)16-13(17)9-15-14(18)12-6-3-7-19-12/h2-8H,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9402829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).