N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide

C27H24N2O3S — CID 23094955

IUPACN-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCCC(Sc1ccc(NC(=O)c2ccco2)cc1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c1-2-25(27(31)29(21-10-5-3-6-11-21)22-12-7-4-8-13-22)33-23-17-15-20(16-18-23)28-26(30)24-14-9-19-32-24/h3-19,25H,2H2,1H3,(H,28,30)
InChIKeyLVMDRTGYDNJTHP-UHFFFAOYSA-N
MW456.57 g/mol
LogP6.77
Rot. Bonds8

About N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide

N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 23094955) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
PubChem CID23094955
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC NameN-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCCC(Sc1ccc(NC(=O)c2ccco2)cc1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24N2O3S/c1-2-25(27(31)29(21-10-5-3-6-11-21)22-12-7-4-8-13-22)33-23-17-15-20(16-18-23)28-26(30)24-14-9-19-32-24/h3-19,25H,2H2,1H3,(H,28,30)
InChIKeyLVMDRTGYDNJTHP-UHFFFAOYSA-N
XLogP6.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5-tetrachloro-6-[[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22784537
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 51327723
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913173
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[3-[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904552

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide (CID 23094955) is N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide is CCC(Sc1ccc(NC(=O)c2ccco2)cc1)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is LVMDRTGYDNJTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-2-25(27(31)29(21-10-5-3-6-11-21)22-12-7-4-8-13-22)33-23-17-15-20(16-18-23)28-26(30)24-14-9-19-32-24/h3-19,25H,2H2,1H3,(H,28,30).
What are the key properties of N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 23094955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).