3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide

C15H16BrNOS — CID 47219608

IUPAC3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2sccc2Br)c1
InChIInChI=1S/C15H16BrNOS/c1-9-4-5-10(2)12(8-9)11(3)17-15(18)14-13(16)6-7-19-14/h4-8,11H,1-3H3,(H,17,18)
InChIKeyQMJNRPNQDADDBJ-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.62
Rot. Bonds3

About 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide

3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 47219608) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID47219608
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2sccc2Br)c1
InChIInChI=1S/C15H16BrNOS/c1-9-4-5-10(2)12(8-9)11(3)17-15(18)14-13(16)6-7-19-14/h4-8,11H,1-3H3,(H,17,18)
InChIKeyQMJNRPNQDADDBJ-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47234202
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987054
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327144
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
3-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 47317475
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626107
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide (CID 47219608) is 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2sccc2Br)c1.
What is the InChIKey of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is QMJNRPNQDADDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-9-4-5-10(2)12(8-9)11(3)17-15(18)14-13(16)6-7-19-14/h4-8,11H,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide?
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47219608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).