5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide

C12H16BrNO2S — CID 61217701

IUPAC5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-14(8-9-4-2-3-7-16-9)12(15)10-5-6-11(13)17-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXFBJNVSODNSBNG-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.15
Rot. Bonds3

About 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide

5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 61217701) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID61217701
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-14(8-9-4-2-3-7-16-9)12(15)10-5-6-11(13)17-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXFBJNVSODNSBNG-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-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

5-(3-aminoprop-1-ynyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide
CID 61433401
1-(5-bromothiophen-2-yl)-2-[ethyl(oxolan-2-ylmethyl)amino]ethanone
CID 61434786
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide (CID 61217701) is 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide is CN(CC1CCCCO1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XFBJNVSODNSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-14(8-9-4-2-3-7-16-9)12(15)10-5-6-11(13)17-10/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-methyl-N-(oxan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 3.15, 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-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61217701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).