5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide

C12H16BrNO2S — CID 63707382

IUPAC5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H16BrNO2S/c1-14(7-9-2-4-16-5-3-9)12(15)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyKZSKXRHTIRRXME-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide

5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 63707382) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
PubChem CID63707382
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H16BrNO2S/c1-14(7-9-2-4-16-5-3-9)12(15)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeyKZSKXRHTIRRXME-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-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

5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanone
CID 105091941
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide (CID 63707382) is 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide is CN(CC1CCOCC1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is KZSKXRHTIRRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-14(7-9-2-4-16-5-3-9)12(15)10-6-11(13)17-8-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide?
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 63707382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).