3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide

C10H14BrNO2S — CID 111695920

IUPAC3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO2S/c1-7(13)3-5-12(2)10(14)9-8(11)4-6-15-9/h4,6-7,13H,3,5H2,1-2H3
InChIKeyMTQOAPLKMIEWOP-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.35
Rot. Bonds4

About 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide

3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide (PubChem CID 111695920) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
PubChem CID111695920
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO2S/c1-7(13)3-5-12(2)10(14)9-8(11)4-6-15-9/h4,6-7,13H,3,5H2,1-2H3
InChIKeyMTQOAPLKMIEWOP-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
N-(3-hydroxybutyl)-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 111758309
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide (CID 111695920) is 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide is CC(O)CCN(C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
The InChIKey is MTQOAPLKMIEWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-7(13)3-5-12(2)10(14)9-8(11)4-6-15-9/h4,6-7,13H,3,5H2,1-2H3.
What are the key properties of 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 111695920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).