N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide

C18H20BrNOS — CID 166349538

IUPACN-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2csc(C3CCCCC3)c2)c1
InChIInChI=1S/C18H20BrNOS/c1-12-7-8-15(19)16(9-12)20-18(21)14-10-17(22-11-14)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,21)
InChIKeyRWPRMUVSZYNUEF-UHFFFAOYSA-N
MW378.34 g/mol
LogP6.12
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide

N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide (PubChem CID 166349538) has the molecular formula C18H20BrNOS and a molecular weight of 378.34 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
PubChem CID166349538
Molecular FormulaC18H20BrNOS
Molecular Weight378.34 g/mol
Exact Mass377.04
IUPAC NameN-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2csc(C3CCCCC3)c2)c1
InChIInChI=1S/C18H20BrNOS/c1-12-7-8-15(19)16(9-12)20-18(21)14-10-17(22-11-14)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,21)
InChIKeyRWPRMUVSZYNUEF-UHFFFAOYSA-N
XLogP6.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-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-cyclohexyl-N-(5-methyl-2-oxo-1H-pyridin-3-yl)thiophene-3-carboxamide
CID 166349578
N-(2-bromo-6-chloro-4-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
CID 167757299
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide (CID 166349538) is N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide is Cc1ccc(Br)c(NC(=O)c2csc(C3CCCCC3)c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
The InChIKey is RWPRMUVSZYNUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNOS/c1-12-7-8-15(19)16(9-12)20-18(21)14-10-17(22-11-14)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide?
N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide is sourced from PubChem (CID 166349538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).