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

C10H14BrNO2S — CID 111695665

IUPAC5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-7(13)5-6-12(2)10(14)8-3-4-9(11)15-8/h3-4,7,13H,5-6H2,1-2H3
InChIKeyOBDKCDPNQSJHCA-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.35
Rot. Bonds4

About 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide

5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide (PubChem CID 111695665) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
PubChem CID111695665
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-7(13)5-6-12(2)10(14)8-3-4-9(11)15-8/h3-4,7,13H,5-6H2,1-2H3
InChIKeyOBDKCDPNQSJHCA-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

5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
N-(3-hydroxybutyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 115673368
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 54913160
6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
CID 103916984
5-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61077053
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
2-[[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]amino]-4-methylpentanoic acid
CID 119188632

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide (CID 111695665) is 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide is CC(O)CCN(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
The InChIKey is OBDKCDPNQSJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-7(13)5-6-12(2)10(14)8-3-4-9(11)15-8/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide?
5-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 5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 111695665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).