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

C14H14BrNO2S — CID 81003488

IUPACN-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1sccc1OC
InChIInChI=1S/C14H14BrNO2S/c1-3-9-8-10(15)4-5-11(9)16-14(17)13-12(18-2)6-7-19-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWKGBXLGOLMKHKQ-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.33
Rot. Bonds4

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

N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide (PubChem CID 81003488) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
PubChem CID81003488
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1sccc1OC
InChIInChI=1S/C14H14BrNO2S/c1-3-9-8-10(15)4-5-11(9)16-14(17)13-12(18-2)6-7-19-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWKGBXLGOLMKHKQ-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
CID 2211517
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
3-methoxy-N-(2-methoxy-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 71983286
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 81290411

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide (CID 81003488) is N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide is CCc1cc(Br)ccc1NC(=O)c1sccc1OC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is WKGBXLGOLMKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-3-9-8-10(15)4-5-11(9)16-14(17)13-12(18-2)6-7-19-13/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81003488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).