3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide

C11H14BrNO2S — CID 104927269

IUPAC3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1sccc1Br
InChIInChI=1S/C11H14BrNO2S/c12-7-5-6-16-10(7)11(15)13-8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H,13,15)/t8-,9-/m1/s1
InChIKeyIUKHSLVQVBSFSR-RKDXNWHRSA-N
MW304.21 g/mol
LogP2.54
Rot. Bonds2

About 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide

3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide (PubChem CID 104927269) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide
PubChem CID104927269
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1sccc1Br
InChIInChI=1S/C11H14BrNO2S/c12-7-5-6-16-10(7)11(15)13-8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H,13,15)/t8-,9-/m1/s1
InChIKeyIUKHSLVQVBSFSR-RKDXNWHRSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]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

cis-(1S,2R)-2-[(3-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161410
3-[(3-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63802421
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
1-(3-bromothiophen-2-yl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632869
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
N-[(1S,2S)-2-hydroxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 104957384
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide (CID 104927269) is 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide?
The InChIKey is IUKHSLVQVBSFSR-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-7-5-6-16-10(7)11(15)13-8-3-1-2-4-9(8)14/h5-6,8-9,14H,1-4H2,(H,13,15)/t8-,9-/m1/s1.
What are the key properties of 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide?
3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 104927269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).