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

C11H16BrNO3S — CID 111470223

IUPAC4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1c(C(=O)NCCC(C)O)sc(C)c1Br
InChIInChI=1S/C11H16BrNO3S/c1-6(14)4-5-13-11(15)10-9(16-3)8(12)7(2)17-10/h6,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyJXJBUYYSENLRNP-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.33
Rot. Bonds5

About 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide

4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 111470223) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID111470223
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1c(C(=O)NCCC(C)O)sc(C)c1Br
InChIInChI=1S/C11H16BrNO3S/c1-6(14)4-5-13-11(15)10-9(16-3)8(12)7(2)17-10/h6,14H,4-5H2,1-3H3,(H,13,15)
InChIKeyJXJBUYYSENLRNP-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119434344
6-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 119219722
4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide
CID 130778418
4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 69113007
2-[[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252780
3-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254521
(2S)-2-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 120614838
4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 111471513
2-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)-methylamino]acetic acid
CID 119171836
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide (CID 111470223) is 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide is COc1c(C(=O)NCCC(C)O)sc(C)c1Br.
What is the InChIKey of 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is JXJBUYYSENLRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-6(14)4-5-13-11(15)10-9(16-3)8(12)7(2)17-10/h6,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide?
4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 322.22 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 111470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).