N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide

C23H18N2O2S — CID 134155303

IUPACN-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2cc3ccccc3s2)c1)c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-22(17-8-2-1-3-9-17)25-19-11-6-7-16(13-19)15-24-23(27)21-14-18-10-4-5-12-20(18)28-21/h1-14H,15H2,(H,24,27)(H,25,26)
InChIKeySALIJFSPLUEJSE-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.08
Rot. Bonds5

About N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide

N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 134155303) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID134155303
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC NameN-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2cc3ccccc3s2)c1)c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-22(17-8-2-1-3-9-17)25-19-11-6-7-16(13-19)15-24-23(27)21-14-18-10-4-5-12-20(18)28-21/h1-14H,15H2,(H,24,27)(H,25,26)
InChIKeySALIJFSPLUEJSE-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide (CID 134155303) is N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide is O=C(Nc1cccc(CNC(=O)c2cc3ccccc3s2)c1)c1ccccc1.
What is the InChIKey of N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is SALIJFSPLUEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-22(17-8-2-1-3-9-17)25-19-11-6-7-16(13-19)15-24-23(27)21-14-18-10-4-5-12-20(18)28-21/h1-14H,15H2,(H,24,27)(H,25,26).
What are the key properties of N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzamidophenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 134155303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).