5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide

C17H12BrNOS — CID 1246451

IUPAC5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C17H12BrNOS/c18-16-11-10-15(21-16)17(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyRVVFUSTZJLWBDW-UHFFFAOYSA-N
MW358.26 g/mol
LogP5.43
Rot. Bonds3

About 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide

5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide (PubChem CID 1246451) has the molecular formula C17H12BrNOS and a molecular weight of 358.26 g/mol. Its IUPAC name is 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide
PubChem CID1246451
Molecular FormulaC17H12BrNOS
Molecular Weight358.26 g/mol
Exact Mass356.98
IUPAC Name5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C17H12BrNOS/c18-16-11-10-15(21-16)17(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyRVVFUSTZJLWBDW-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.26
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 47131134
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CID 4694440
5-bromo-N-(2-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26290740
5-bromo-N-(2-bromo-3-pyridinyl)thiophene-2-carboxamide
CID 103819443
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
CID 46439802
methyl 3-[(5-bromothiophene-2-carbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 5018015
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79043907
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 18293102
2-[(5-bromothiophene-2-carbonyl)amino]-5-iodobenzoic acid
CID 45345767
2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55572335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide (CID 1246451) is 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide?
The InChIKey is RVVFUSTZJLWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNOS/c18-16-11-10-15(21-16)17(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,19,20).
What are the key properties of 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide?
5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide has a molecular weight of 358.26 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1246451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).