5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide

C12H18BrNOS — CID 79929208

IUPAC5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
SMILESCCCC(C)N(C)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-5-6-9(3)14(4)12(15)10-7-8(2)11(13)16-10/h7,9H,5-6H2,1-4H3
InChIKeyZHJRSUYFOACOHT-UHFFFAOYSA-N
MW304.25 g/mol
LogP4.08
Rot. Bonds4

About 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide

5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide (PubChem CID 79929208) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
PubChem CID79929208
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide
SMILESCCCC(C)N(C)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H18BrNOS/c1-5-6-9(3)14(4)12(15)10-7-8(2)11(13)16-10/h7,9H,5-6H2,1-4H3
InChIKeyZHJRSUYFOACOHT-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 79929205
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283
5-bromo-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987861
2-(5-bromo-4-methylthiophene-2-carbonyl)pentanenitrile
CID 79990260
5-bromo-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-carboxamide
CID 79996781
(2R)-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 107563587
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
N-(2-amino-2-sulfanylideneethyl)-5-bromo-4-methyl-N-propylthiophene-2-carboxamide
CID 79990343
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide (CID 79929208) is 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide is CCCC(C)N(C)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide?
The InChIKey is ZHJRSUYFOACOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-5-6-9(3)14(4)12(15)10-7-8(2)11(13)16-10/h7,9H,5-6H2,1-4H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide?
5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide has a molecular weight of 304.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-pentan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 79929208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).