N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide

C15H23BrN2OS — CID 119592141

IUPACN-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide
SMILESNCC(NC(=O)CCc1cc(Br)cs1)C1CCCCC1
InChIInChI=1S/C15H23BrN2OS/c16-12-8-13(20-10-12)6-7-15(19)18-14(9-17)11-4-2-1-3-5-11/h8,10-11,14H,1-7,9,17H2,(H,18,19)
InChIKeyATQMKPYSDVNTDE-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.47
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide

N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide (PubChem CID 119592141) has the molecular formula C15H23BrN2OS and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide
PubChem CID119592141
Molecular FormulaC15H23BrN2OS
Molecular Weight359.33 g/mol
Exact Mass358.07
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide
SMILESNCC(NC(=O)CCc1cc(Br)cs1)C1CCCCC1
InChIInChI=1S/C15H23BrN2OS/c16-12-8-13(20-10-12)6-7-15(19)18-14(9-17)11-4-2-1-3-5-11/h8,10-11,14H,1-7,9,17H2,(H,18,19)
InChIKeyATQMKPYSDVNTDE-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide 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

N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 131963103
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-methylbutanoic acid
CID 119368217
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
N-(2-amino-1-cyclohexylethyl)-2,5-dibromothiophene-3-carboxamide
CID 103807076
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119589813

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide (CID 119592141) is N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide is NCC(NC(=O)CCc1cc(Br)cs1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide?
The InChIKey is ATQMKPYSDVNTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2OS/c16-12-8-13(20-10-12)6-7-15(19)18-14(9-17)11-4-2-1-3-5-11/h8,10-11,14H,1-7,9,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide?
N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide has a molecular weight of 359.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide is sourced from PubChem (CID 119592141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).