N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide

C17H12ClNOS — CID 2521180

IUPACN-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1sccc1-c1ccccc1
InChIInChI=1S/C17H12ClNOS/c18-14-8-4-5-9-15(14)19-17(20)16-13(10-11-21-16)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeySMVQXTGKGZVRCN-UHFFFAOYSA-N
MW313.81 g/mol
LogP5.32
Rot. Bonds3

About N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide

N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide (PubChem CID 2521180) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide
PubChem CID2521180
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC NameN-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1sccc1-c1ccccc1
InChIInChI=1S/C17H12ClNOS/c18-14-8-4-5-9-15(14)19-17(20)16-13(10-11-21-16)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeySMVQXTGKGZVRCN-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.81
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide (CID 2521180) is N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide is O=C(Nc1ccccc1Cl)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is SMVQXTGKGZVRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNOS/c18-14-8-4-5-9-15(14)19-17(20)16-13(10-11-21-16)12-6-2-1-3-7-12/h1-11H,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide?
N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 313.81 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 2521180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).