N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

C25H24N2O3S — CID 18901270

IUPACN-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCC(Sc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17(31-23-9-5-6-20(16-23)27-25(29)18-10-11-18)24(28)26-19-12-14-22(15-13-19)30-21-7-3-2-4-8-21/h2-9,12-18H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyQKKYGWYMXLSBHV-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.95
Rot. Bonds8

About N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 18901270) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID18901270
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCC(Sc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17(31-23-9-5-6-20(16-23)27-25(29)18-10-11-18)24(28)26-19-12-14-22(15-13-19)30-21-7-3-2-4-8-21/h2-9,12-18H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyQKKYGWYMXLSBHV-UHFFFAOYSA-N
XLogP5.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901250
3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid
CID 18901275
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907580
N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901476
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901288
N-[3-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901255
2,4-dichloro-N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 18902134
N-[3-[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901404
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
methyl 2-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate
CID 18907601

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 18901270) is N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide is CC(Sc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is QKKYGWYMXLSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17(31-23-9-5-6-20(16-23)27-25(29)18-10-11-18)24(28)26-19-12-14-22(15-13-19)30-21-7-3-2-4-8-21/h2-9,12-18H,10-11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 18901270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).