2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

C24H18N2O3S — CID 16857878

IUPAC2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H18N2O3S/c25-22(27)20-15-21(16-7-3-1-4-8-16)30-24(20)26-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H2,25,27)(H,26,28)
InChIKeyRYBURVSSIPKOKH-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.56
Rot. Bonds6

About 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 16857878) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID16857878
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H18N2O3S/c25-22(27)20-15-21(16-7-3-1-4-8-16)30-24(20)26-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H2,25,27)(H,26,28)
InChIKeyRYBURVSSIPKOKH-UHFFFAOYSA-N
XLogP5.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 16857878) is 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is RYBURVSSIPKOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c25-22(27)20-15-21(16-7-3-1-4-8-16)30-24(20)26-23(28)17-11-13-19(14-12-17)29-18-9-5-2-6-10-18/h1-15H,(H2,25,27)(H,26,28).
What are the key properties of 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).