N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide

C31H24N2O4S — CID 18904654

IUPACN-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C31H24N2O4S/c34-30(28-15-8-20-36-28)33-24-11-7-14-27(21-24)38-29(22-9-3-1-4-10-22)31(35)32-23-16-18-26(19-17-23)37-25-12-5-2-6-13-25/h1-21,29H,(H,32,35)(H,33,34)
InChIKeyMOCYFVMOMZUQID-UHFFFAOYSA-N
MW520.61 g/mol
LogP7.80
Rot. Bonds9

About N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide

N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18904654) has the molecular formula C31H24N2O4S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18904654
Molecular FormulaC31H24N2O4S
Molecular Weight520.61 g/mol
Exact Mass520.15
IUPAC NameN-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C31H24N2O4S/c34-30(28-15-8-20-36-28)33-24-11-7-14-27(21-24)38-29(22-9-3-1-4-10-22)31(35)32-23-16-18-26(19-17-23)37-25-12-5-2-6-13-25/h1-21,29H,(H,32,35)(H,33,34)
InChIKeyMOCYFVMOMZUQID-UHFFFAOYSA-N
XLogP7.80
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904628
N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904625
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904619
4-oxo-4-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylanilino]butanoic acid
CID 18897250
4-[[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896674
N-[3-[2-oxo-1-phenyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904665
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 23097996
2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18899904
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
N-(4-methoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316509
2-fluoro-N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904068

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide (CID 18904654) is N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide is O=C(Nc1cccc(SC(C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)c1)c1ccco1.
What is the InChIKey of N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is MOCYFVMOMZUQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O4S/c34-30(28-15-8-20-36-28)33-24-11-7-14-27(21-24)38-29(22-9-3-1-4-10-22)31(35)32-23-16-18-26(19-17-23)37-25-12-5-2-6-13-25/h1-21,29H,(H,32,35)(H,33,34).
What are the key properties of N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 7.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18904654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).