N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide

C19H17NO3S — CID 1483506

IUPACN-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1OC
InChIInChI=1S/C19H17NO3S/c1-22-16-10-9-15(12-17(16)23-2)20-19(21)14-7-5-13(6-8-14)18-4-3-11-24-18/h3-12H,1-2H3,(H,20,21)
InChIKeyAVLBAZSDBQBTPS-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.68
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide

N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide (PubChem CID 1483506) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
PubChem CID1483506
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1OC
InChIInChI=1S/C19H17NO3S/c1-22-16-10-9-15(12-17(16)23-2)20-19(21)14-7-5-13(6-8-14)18-4-3-11-24-18/h3-12H,1-2H3,(H,20,21)
InChIKeyAVLBAZSDBQBTPS-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
CID 37345483
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
CID 6452760
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide (CID 1483506) is N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide is COc1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
The InChIKey is AVLBAZSDBQBTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-16-10-9-15(12-17(16)23-2)20-19(21)14-7-5-13(6-8-14)18-4-3-11-24-18/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 1483506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).