N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide

C10H12BrNOS — CID 47439097

IUPACN-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
SMILESC=C(Br)CNC(=O)c1cc(C)sc1C
InChIInChI=1S/C10H12BrNOS/c1-6(11)5-12-10(13)9-4-7(2)14-8(9)3/h4H,1,5H2,2-3H3,(H,12,13)
InChIKeyUNELLTWSGSOMSP-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.00
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide

N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 47439097) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID47439097
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC NameN-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
SMILESC=C(Br)CNC(=O)c1cc(C)sc1C
InChIInChI=1S/C10H12BrNOS/c1-6(11)5-12-10(13)9-4-7(2)14-8(9)3/h4H,1,5H2,2-3H3,(H,12,13)
InChIKeyUNELLTWSGSOMSP-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 114619039
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
N-[2-(ethylamino)-2-oxoethyl]-2,5-dimethylthiophene-3-carboxamide
CID 39969728
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
N-(2-bromoprop-2-enyl)-5-methylthiophene-3-carboxamide
CID 130610492
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 131207229
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
CID 103769141
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide (CID 47439097) is N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide is C=C(Br)CNC(=O)c1cc(C)sc1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is UNELLTWSGSOMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-6(11)5-12-10(13)9-4-7(2)14-8(9)3/h4H,1,5H2,2-3H3,(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide?
N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 274.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 47439097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).