N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide

C14H19BrClNOS — CID 103405905

IUPACN-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(CCBr)C2CCCCC2)c1Cl
InChIInChI=1S/C14H19BrClNOS/c1-10-9-19-13(12(10)16)14(18)17(8-7-15)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyVDWWOECLBHOQKN-UHFFFAOYSA-N
MW364.74 g/mol
LogP4.88
Rot. Bonds4

About N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide

N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide (PubChem CID 103405905) has the molecular formula C14H19BrClNOS and a molecular weight of 364.74 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
PubChem CID103405905
Molecular FormulaC14H19BrClNOS
Molecular Weight364.74 g/mol
Exact Mass363.01
IUPAC NameN-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(CCBr)C2CCCCC2)c1Cl
InChIInChI=1S/C14H19BrClNOS/c1-10-9-19-13(12(10)16)14(18)17(8-7-15)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3
InChIKeyVDWWOECLBHOQKN-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.74
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-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

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-methylthiophene-2-carboxamide
CID 103403343
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-cyclopentyl-4-methylthiophene-2-carboxamide
CID 103401827
N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
CID 81129770
N-(2-bromoethyl)-N-butyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405901
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethanone
CID 103407872
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
[2-(bromomethyl)azepan-1-yl]-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103406238

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide (CID 103405905) is N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)N(CCBr)C2CCCCC2)c1Cl.
What is the InChIKey of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide?
The InChIKey is VDWWOECLBHOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNOS/c1-10-9-19-13(12(10)16)14(18)17(8-7-15)11-5-3-2-4-6-11/h9,11H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide?
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide has a molecular weight of 364.74 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103405905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).