N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide

C13H12BrNOS — CID 36676613

IUPACN-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H12BrNOS/c1-2-11-7-8-12(17-11)13(16)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyQMRKYFABYKQPNQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide

N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide (PubChem CID 36676613) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
PubChem CID36676613
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H12BrNOS/c1-2-11-7-8-12(17-11)13(16)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyQMRKYFABYKQPNQ-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

5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
5-acetamido-N-(4-bromophenyl)thiophene-2-carboxamide
CID 17435618
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
CID 47114542
N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
CID 47114852
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
1-[(5-ethylthiophene-2-carbonyl)amino]-3-(4-nitrophenyl)urea
CID 4982356
N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide
CID 62317186
N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 113274434
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 27229207
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 17217746

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide (CID 36676613) is N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(Br)cc2)s1.
What is the InChIKey of N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is QMRKYFABYKQPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-2-11-7-8-12(17-11)13(16)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide?
N-(4-bromophenyl)-5-ethylthiophene-2-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-bromophenyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 36676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).