N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide

C25H24N2O3S — CID 18901476

IUPACN-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C(Sc2cccc(NC(=O)C3CC3)c2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-30-21-14-12-19(13-15-21)26-25(29)23(17-6-3-2-4-7-17)31-22-9-5-8-20(16-22)27-24(28)18-10-11-18/h2-9,12-16,18,23H,10-11H2,1H3,(H,26,29)(H,27,28)
InChIKeyROQOGORHXYGQRE-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.52
Rot. Bonds8

About N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide

N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 18901476) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID18901476
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C(Sc2cccc(NC(=O)C3CC3)c2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-30-21-14-12-19(13-15-21)26-25(29)23(17-6-3-2-4-7-17)31-22-9-5-8-20(16-22)27-24(28)18-10-11-18/h2-9,12-16,18,23H,10-11H2,1H3,(H,26,29)(H,27,28)
InChIKeyROQOGORHXYGQRE-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidophenyl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 18901188
N-(4-methoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316509
N-[3-[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901404
N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18907524
4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18903794
N-[4-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 22780613
2-fluoro-N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18904068
N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901270
N-(3,5-dimethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316505
N-[3-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methoxybenzamide
CID 18903796
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)-2-phenylacetamide
CID 18901182
3-methoxy-N-[3-[2-(naphthalen-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18903484

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide (CID 18901476) is N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide is COc1ccc(NC(=O)C(Sc2cccc(NC(=O)C3CC3)c2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is ROQOGORHXYGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-30-21-14-12-19(13-15-21)26-25(29)23(17-6-3-2-4-7-17)31-22-9-5-8-20(16-22)27-24(28)18-10-11-18/h2-9,12-16,18,23H,10-11H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide?
N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 18901476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).