N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide

C13H12BrNOS — CID 81003337

IUPACN-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccsc1
InChIInChI=1S/C13H12BrNOS/c1-2-9-7-11(14)3-4-12(9)15-13(16)10-5-6-17-8-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyNQPVPYKDVDVKRB-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide

N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide (PubChem CID 81003337) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
PubChem CID81003337
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccsc1
InChIInChI=1S/C13H12BrNOS/c1-2-9-7-11(14)3-4-12(9)15-13(16)10-5-6-17-8-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyNQPVPYKDVDVKRB-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629754
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
3-amino-N-(4-bromo-2-ethylphenyl)-4,5-dichlorobenzamide
CID 81289576
N-(4-bromo-2-ethylphenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 50739996
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
2-[(4-bromo-2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697325
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide (CID 81003337) is N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide is CCc1cc(Br)ccc1NC(=O)c1ccsc1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide?
The InChIKey is NQPVPYKDVDVKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-2-9-7-11(14)3-4-12(9)15-13(16)10-5-6-17-8-10/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide?
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide has a molecular weight of 310.22 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 81003337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).