5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C21H18N2O4S — CID 9083677

IUPAC5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C21H18N2O4S/c1-13(24)18-11-12-19(28-18)21(26)22-15-9-7-14(8-10-15)20(25)23-16-5-3-4-6-17(16)27-2/h3-12H,1-2H3,(H,22,26)(H,23,25)
InChIKeyLVZNQEHSRZPXTK-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.46
Rot. Bonds6

About 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9083677) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9083677
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1
InChIInChI=1S/C21H18N2O4S/c1-13(24)18-11-12-19(28-18)21(26)22-15-9-7-14(8-10-15)20(25)23-16-5-3-4-6-17(16)27-2/h3-12H,1-2H3,(H,22,26)(H,23,25)
InChIKeyLVZNQEHSRZPXTK-UHFFFAOYSA-N
XLogP4.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
2-N-(4-acetylphenyl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100922
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 9083677) is 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1.
What is the InChIKey of 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is LVZNQEHSRZPXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-13(24)18-11-12-19(28-18)21(26)22-15-9-7-14(8-10-15)20(25)23-16-5-3-4-6-17(16)27-2/h3-12H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9083677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).