N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide

C17H12ClNOS — CID 783090

IUPACN-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cccs1
InChIInChI=1S/C17H12ClNOS/c18-14-7-3-12(4-8-14)13-5-9-15(10-6-13)19-17(20)16-2-1-11-21-16/h1-11H,(H,19,20)
InChIKeyDJSSPSYDJNZCRY-UHFFFAOYSA-N
MW313.81 g/mol
LogP5.32
Rot. Bonds3

About N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide

N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide (PubChem CID 783090) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide
PubChem CID783090
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC NameN-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cccs1
InChIInChI=1S/C17H12ClNOS/c18-14-7-3-12(4-8-14)13-5-9-15(10-6-13)19-17(20)16-2-1-11-21-16/h1-11H,(H,19,20)
InChIKeyDJSSPSYDJNZCRY-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-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide (CID 783090) is N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cccs1.
What is the InChIKey of N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide?
The InChIKey is DJSSPSYDJNZCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNOS/c18-14-7-3-12(4-8-14)13-5-9-15(10-6-13)19-17(20)16-2-1-11-21-16/h1-11H,(H,19,20).
What are the key properties of N-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide?
N-[4-(4-chlorophenyl)phenyl]thiophene-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-[4-(4-chlorophenyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 783090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).