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

C13H12BrNOS — CID 17172870

IUPACN-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C13H12BrNOS/c1-2-9-7-8-12(17-9)13(16)15-11-6-4-3-5-10(11)14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyFFZMNHIFTGZYTH-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.33
Rot. Bonds3

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

N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide (PubChem CID 17172870) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
PubChem CID17172870
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C13H12BrNOS/c1-2-9-7-8-12(17-9)13(16)15-11-6-4-3-5-10(11)14/h3-8H,2H2,1H3,(H,15,16)
InChIKeyFFZMNHIFTGZYTH-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-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 113274434
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
N-(2-bromo-4-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CID 107789968
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9089633
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
5-ethyl-N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide
CID 47123757
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide (CID 17172870) is N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccccc2Br)s1.
What is the InChIKey of N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is FFZMNHIFTGZYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-2-9-7-8-12(17-9)13(16)15-11-6-4-3-5-10(11)14/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide?
N-(2-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-(2-bromophenyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 17172870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).