5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide

C14H20BrNOS — CID 4121013

IUPAC5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2ccc(Br)s2)CC(C)(C)C1
InChIInChI=1S/C14H20BrNOS/c1-9-6-10(8-14(2,3)7-9)16-13(17)11-4-5-12(15)18-11/h4-5,9-10H,6-8H2,1-3H3,(H,16,17)
InChIKeyDFYTWDOEZSZJGX-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide

5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide (PubChem CID 4121013) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
PubChem CID4121013
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2ccc(Br)s2)CC(C)(C)C1
InChIInChI=1S/C14H20BrNOS/c1-9-6-10(8-14(2,3)7-9)16-13(17)11-4-5-12(15)18-11/h4-5,9-10H,6-8H2,1-3H3,(H,16,17)
InChIKeyDFYTWDOEZSZJGX-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(3,3,5-trimethylcyclohexyl)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

4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
5-[(3-methylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115910451
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
CID 63524780
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide (CID 4121013) is 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide is CC1CC(NC(=O)c2ccc(Br)s2)CC(C)(C)C1.
What is the InChIKey of 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is DFYTWDOEZSZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-9-6-10(8-14(2,3)7-9)16-13(17)11-4-5-12(15)18-11/h4-5,9-10H,6-8H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide?
5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 4121013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).