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

C19H16N2O3S — CID 4826880

IUPAC2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1
InChIInChI=1S/C19H16N2O3S/c1-24-14-9-5-8-13(10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyZBXVHRJXJZNYGT-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.77
Rot. Bonds5

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

2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 4826880) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID4826880
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1
InChIInChI=1S/C19H16N2O3S/c1-24-14-9-5-8-13(10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyZBXVHRJXJZNYGT-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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Related Compounds

2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857860
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1189333
2-acetamido-N-(3-methoxyphenyl)-5-phenylthiophene-3-carboxamide
CID 7673753
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
2-fluoro-5-[(3-methoxybenzoyl)amino]benzamide
CID 39215128
2-[(4-tert-butylbenzoyl)amino]-5-phenylthiophene-3-carboxylic acid
CID 28860572
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 11560615
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
N-(3-carbamoyl-5-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
CID 16857844
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 11795959

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 4826880) is 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is COc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1.
What is the InChIKey of 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is ZBXVHRJXJZNYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-14-9-5-8-13(10-14)18(23)21-19-15(17(20)22)11-16(25-19)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(3-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-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 4826880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).