N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide

C14H24F2N2O2S — CID 103208335

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCC1CCC(NC(=O)CCOCC(F)F)(C(N)=S)CC1
InChIInChI=1S/C14H24F2N2O2S/c1-2-10-3-6-14(7-4-10,13(17)21)18-12(19)5-8-20-9-11(15)16/h10-11H,2-9H2,1H3,(H2,17,21)(H,18,19)
InChIKeyDLCRTTNNRYUZTF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.40
Rot. Bonds8

About N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208335) has the molecular formula C14H24F2N2O2S and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208335
Molecular FormulaC14H24F2N2O2S
Molecular Weight322.42 g/mol
Exact Mass322.15
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCC1CCC(NC(=O)CCOCC(F)F)(C(N)=S)CC1
InChIInChI=1S/C14H24F2N2O2S/c1-2-10-3-6-14(7-4-10,13(17)21)18-12(19)5-8-20-9-11(15)16/h10-11H,2-9H2,1H3,(H2,17,21)(H,18,19)
InChIKeyDLCRTTNNRYUZTF-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208335) is N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide is CCC1CCC(NC(=O)CCOCC(F)F)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is DLCRTTNNRYUZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2S/c1-2-10-3-6-14(7-4-10,13(17)21)18-12(19)5-8-20-9-11(15)16/h10-11H,2-9H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 322.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-ethylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).