N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide

C25H18Cl2N2O3S — CID 18904619

IUPACN-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C25H18Cl2N2O3S/c26-17-12-18(27)14-20(13-17)29-25(31)23(16-6-2-1-3-7-16)33-21-9-4-8-19(15-21)28-24(30)22-10-5-11-32-22/h1-15,23H,(H,28,30)(H,29,31)
InChIKeyCCYOSGUCSCPQSJ-UHFFFAOYSA-N
MW497.40 g/mol
LogP7.31
Rot. Bonds7

About N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide

N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18904619) has the molecular formula C25H18Cl2N2O3S and a molecular weight of 497.40 g/mol. Its IUPAC name is N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18904619
Molecular FormulaC25H18Cl2N2O3S
Molecular Weight497.40 g/mol
Exact Mass496.04
IUPAC NameN-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1)c1ccco1
InChIInChI=1S/C25H18Cl2N2O3S/c26-17-12-18(27)14-20(13-17)29-25(31)23(16-6-2-1-3-7-16)33-21-9-4-8-19(15-21)28-24(30)22-10-5-11-32-22/h1-15,23H,(H,28,30)(H,29,31)
InChIKeyCCYOSGUCSCPQSJ-UHFFFAOYSA-N
XLogP7.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.40
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904628
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-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 23097996
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908363
N-[3-[2-oxo-1-phenyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904665
N-[3-[2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18899908
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905195
2-[[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895765
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18899904
2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
CID 18894387

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide (CID 18904619) is N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide is O=C(Nc1cccc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1)c1ccco1.
What is the InChIKey of N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is CCYOSGUCSCPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O3S/c26-17-12-18(27)14-20(13-17)29-25(31)23(16-6-2-1-3-7-16)33-21-9-4-8-19(15-21)28-24(30)22-10-5-11-32-22/h1-15,23H,(H,28,30)(H,29,31).
What are the key properties of N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 497.40 g/mol, XLogP of 7.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18904619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).