N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide

C14H20ClNOS — CID 106366958

IUPACN-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2CCCCC2CCl)s1
InChIInChI=1S/C14H20ClNOS/c1-2-11-7-8-13(18-11)14(17)16-12-6-4-3-5-10(12)9-15/h7-8,10,12H,2-6,9H2,1H3,(H,16,17)
InChIKeyMFXRNNGHQFZHTR-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.84
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide

N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide (PubChem CID 106366958) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide
PubChem CID106366958
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2CCCCC2CCl)s1
InChIInChI=1S/C14H20ClNOS/c1-2-11-7-8-13(18-11)14(17)16-12-6-4-3-5-10(12)9-15/h7-8,10,12H,2-6,9H2,1H3,(H,16,17)
InChIKeyMFXRNNGHQFZHTR-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-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

N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
CID 80662719
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-[2-(chloromethyl)cyclohexyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 106366646
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
N-[2-(chloromethyl)cyclopentyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114179378
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
CID 106365773
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide (CID 106366958) is N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC2CCCCC2CCl)s1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide?
The InChIKey is MFXRNNGHQFZHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-2-11-7-8-13(18-11)14(17)16-12-6-4-3-5-10(12)9-15/h7-8,10,12H,2-6,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide?
N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide has a molecular weight of 285.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 106366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).