3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide

C14H14BrNOS — CID 47234202

IUPAC3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2sccc2Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-9-3-5-11(6-4-9)10(2)16-14(17)13-12(15)7-8-18-13/h3-8,10H,1-2H3,(H,16,17)
InChIKeyAKDKIFOJUPLJHI-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide

3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 47234202) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID47234202
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2sccc2Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-9-3-5-11(6-4-9)10(2)16-14(17)13-12(15)7-8-18-13/h3-8,10H,1-2H3,(H,16,17)
InChIKeyAKDKIFOJUPLJHI-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502
3-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 47317475
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
3-bromo-N-[(2R,4S)-4-methylhexan-2-yl]thiophene-2-carboxamide
CID 97053965
3-bromo-N-[(2S,4R)-4-methylhexan-2-yl]thiophene-2-carboxamide
CID 97053966
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
3-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112696811
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide (CID 47234202) is 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(C)NC(=O)c2sccc2Br)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is AKDKIFOJUPLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9-3-5-11(6-4-9)10(2)16-14(17)13-12(15)7-8-18-13/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
3-bromo-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.31, 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-(4-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47234202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).