4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide

C20H18N2O2S — CID 32991351

IUPAC4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-11-12-25-18(14)13-21-19(23)16-7-9-17(10-8-16)22-20(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCBJLKGVCDIKNEX-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.24
Rot. Bonds5

About 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 32991351) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID32991351
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-11-12-25-18(14)13-21-19(23)16-7-9-17(10-8-16)22-20(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCBJLKGVCDIKNEX-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43742121
4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607
4-benzamido-N-ethylbenzamide
CID 17153265
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
(4-benzamidophenyl)carbamic acid
CID 18543096
4-[(3-methylthiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 112700639
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 32991351) is 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CNC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is CBJLKGVCDIKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-11-12-25-18(14)13-21-19(23)16-7-9-17(10-8-16)22-20(24)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 32991351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).