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

C26H22N2O3S — CID 18904628

IUPACN-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)C(Sc2cccc(NC(=O)c3ccco3)c2)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O3S/c1-18-12-14-20(15-13-18)27-26(30)24(19-7-3-2-4-8-19)32-22-10-5-9-21(17-22)28-25(29)23-11-6-16-31-23/h2-17,24H,1H3,(H,27,30)(H,28,29)
InChIKeyHDJMCVZNWSPXKV-UHFFFAOYSA-N
MW442.54 g/mol
LogP6.31
Rot. Bonds7

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

N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18904628) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18904628
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC NameN-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)C(Sc2cccc(NC(=O)c3ccco3)c2)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O3S/c1-18-12-14-20(15-13-18)27-26(30)24(19-7-3-2-4-8-19)32-22-10-5-9-21(17-22)28-25(29)23-11-6-16-31-23/h2-17,24H,1H3,(H,27,30)(H,28,29)
InChIKeyHDJMCVZNWSPXKV-UHFFFAOYSA-N
XLogP6.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-oxo-2-(4-phenoxyanilino)-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904654
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
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
4-methyl-N-[3-[2-oxo-1-phenyl-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]benzamide
CID 18907255
N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904484
2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 19316789
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18899904
N-[3-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906951
N-[3-[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18899908
4-methyl-N-[3-[2-(2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18907218

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide (CID 18904628) is N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)C(Sc2cccc(NC(=O)c3ccco3)c2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is HDJMCVZNWSPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-18-12-14-20(15-13-18)27-26(30)24(19-7-3-2-4-8-19)32-22-10-5-9-21(17-22)28-25(29)23-11-6-16-31-23/h2-17,24H,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18904628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).