5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide

C14H20BrNOS — CID 63524780

IUPAC5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
SMILESCCCC1CCC(NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H20BrNOS/c1-2-3-10-4-6-11(7-5-10)16-14(17)12-8-9-13(15)18-12/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyKEXZJWLSNHUZIJ-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.60
Rot. Bonds4

About 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide

5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide (PubChem CID 63524780) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
PubChem CID63524780
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
SMILESCCCC1CCC(NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H20BrNOS/c1-2-3-10-4-6-11(7-5-10)16-14(17)12-8-9-13(15)18-12/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyKEXZJWLSNHUZIJ-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(4-propylcyclohexyl)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-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 87047357
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117
4-bromo-N-(4-propylcyclohexyl)-2-sulfanylbenzamide
CID 107025667
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 107722644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide (CID 63524780) is 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide is CCCC1CCC(NC(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide?
The InChIKey is KEXZJWLSNHUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-2-3-10-4-6-11(7-5-10)16-14(17)12-8-9-13(15)18-12/h8-11H,2-7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide?
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 63524780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).