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

C17H12ClNOS — CID 26719726

IUPACN-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1sccc1-c1ccccc1
InChIInChI=1S/C17H12ClNOS/c18-13-7-4-8-14(11-13)19-17(20)16-15(9-10-21-16)12-5-2-1-3-6-12/h1-11H,(H,19,20)
InChIKeyXTISGIHOFHHJQK-UHFFFAOYSA-N
MW313.81 g/mol
LogP5.32
Rot. Bonds3

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

N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide (PubChem CID 26719726) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
PubChem CID26719726
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC NameN-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1sccc1-c1ccccc1
InChIInChI=1S/C17H12ClNOS/c18-13-7-4-8-14(11-13)19-17(20)16-15(9-10-21-16)12-5-2-1-3-6-12/h1-11H,(H,19,20)
InChIKeyXTISGIHOFHHJQK-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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Related Compounds

N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18227178
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 32637907
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26955894
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 78792257
N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
CID 70121238
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylthiophene-2-carboxamide
CID 134019850
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide (CID 26719726) is N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1sccc1-c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is XTISGIHOFHHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNOS/c18-13-7-4-8-14(11-13)19-17(20)16-15(9-10-21-16)12-5-2-1-3-6-12/h1-11H,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide?
N-(3-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-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 26719726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).