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

C19H16N2O3S — CID 1186253

IUPAC2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-14-9-7-13(8-10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyAZPFZZWTRTWSTD-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.77
Rot. Bonds5

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

2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 1186253) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID1186253
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-14-9-7-13(8-10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyAZPFZZWTRTWSTD-UHFFFAOYSA-N
XLogP3.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 1186253) is 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is COc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is AZPFZZWTRTWSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-14-9-7-13(8-10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 1186253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).