N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide

C20H18N2O3S — CID 4787980

IUPACN-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccsc2)c1
InChIInChI=1S/C20H18N2O3S/c1-25-16-6-4-5-15(12-16)21-20(24)17-7-2-3-8-18(17)22-19(23)11-14-9-10-26-13-14/h2-10,12-13H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQCGPZNXNUQHLHI-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.19
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide

N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide (PubChem CID 4787980) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
PubChem CID4787980
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccsc2)c1
InChIInChI=1S/C20H18N2O3S/c1-25-16-6-4-5-15(12-16)21-20(24)17-7-2-3-8-18(17)22-19(23)11-14-9-10-26-13-14/h2-10,12-13H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyQCGPZNXNUQHLHI-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 120586763
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
CID 55343011

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide (CID 4787980) is N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccsc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide?
The InChIKey is QCGPZNXNUQHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-16-6-4-5-15(12-16)21-20(24)17-7-2-3-8-18(17)22-19(23)11-14-9-10-26-13-14/h2-10,12-13H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide?
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide has a molecular weight of 366.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 4787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).