3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide

C20H30N2O2S — CID 4940830

IUPAC3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
SMILESCC(C)COc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O2S/c1-15(2)14-24-18-11-9-17(10-12-18)21-20(25)22-19(23)13-8-16-6-4-3-5-7-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H2,21,22,23,25)
InChIKeySYLDLXPCEIQEST-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.89
Rot. Bonds7

About 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide

3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide (PubChem CID 4940830) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
PubChem CID4940830
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
SMILESCC(C)COc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O2S/c1-15(2)14-24-18-11-9-17(10-12-18)21-20(25)22-19(23)13-8-16-6-4-3-5-7-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H2,21,22,23,25)
InChIKeySYLDLXPCEIQEST-UHFFFAOYSA-N
XLogP4.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
CID 4952642
N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 17188061
3-cyclohexyl-N-[(4-phenoxyphenyl)carbamothioyl]propanamide
CID 4934258
3-cyclohexyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]propanamide
CID 4958065
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
CID 17137889
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]tetradecanamide
CID 54791321
2-cyclopentyl-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54786144
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide
CID 54786775
4-tert-butyl-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]benzamide
CID 17235258
3-cyclohexyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]propanamide
CID 17123697
4-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3-methoxypropyl)benzamide
CID 17205331
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide (CID 4940830) is 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide is CC(C)COc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide?
The InChIKey is SYLDLXPCEIQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-15(2)14-24-18-11-9-17(10-12-18)21-20(25)22-19(23)13-8-16-6-4-3-5-7-16/h9-12,15-16H,3-8,13-14H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide?
3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide has a molecular weight of 362.54 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 4940830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).