3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide

C9H12BrNOS — CID 60778218

IUPAC3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C)C(=O)c1sccc1Br
InChIInChI=1S/C9H12BrNOS/c1-6(2)11(3)9(12)8-7(10)4-5-13-8/h4-6H,1-3H3
InChIKeyOOUPSPABQIRBJZ-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.99
Rot. Bonds2

About 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide

3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 60778218) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
PubChem CID60778218
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C)C(=O)c1sccc1Br
InChIInChI=1S/C9H12BrNOS/c1-6(2)11(3)9(12)8-7(10)4-5-13-8/h4-6H,1-3H3
InChIKeyOOUPSPABQIRBJZ-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 63798305
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
CID 96896773
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 82951468
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide (CID 60778218) is 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is OOUPSPABQIRBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-6(2)11(3)9(12)8-7(10)4-5-13-8/h4-6H,1-3H3.
What are the key properties of 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide?
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 262.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 60778218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).