N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide

C18H13ClN2O2S — CID 1337355

IUPACN-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H13ClN2O2S/c19-14-11-13(20-17(22)12-5-2-1-3-6-12)8-9-15(14)21-18(23)16-7-4-10-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKeyIKJCOGQBBILPQV-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.91
Rot. Bonds4

About N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide

N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide (PubChem CID 1337355) has the molecular formula C18H13ClN2O2S and a molecular weight of 356.83 g/mol. Its IUPAC name is N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide
PubChem CID1337355
Molecular FormulaC18H13ClN2O2S
Molecular Weight356.83 g/mol
Exact Mass356.04
IUPAC NameN-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H13ClN2O2S/c19-14-11-13(20-17(22)12-5-2-1-3-6-12)8-9-15(14)21-18(23)16-7-4-10-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKeyIKJCOGQBBILPQV-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide (CID 1337355) is N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide?
The InChIKey is IKJCOGQBBILPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S/c19-14-11-13(20-17(22)12-5-2-1-3-6-12)8-9-15(14)21-18(23)16-7-4-10-24-16/h1-11H,(H,20,22)(H,21,23).
What are the key properties of N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide?
N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide has a molecular weight of 356.83 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2-chlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1337355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).