3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide

C19H26N2O2S — CID 4952642

IUPAC3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
SMILESC=CCOc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O2S/c1-2-14-23-17-11-9-16(10-12-17)20-19(24)21-18(22)13-8-15-6-4-3-5-7-15/h2,9-12,15H,1,3-8,13-14H2,(H2,20,21,22,24)
InChIKeyQNIYQCKXBGJEFH-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.42
Rot. Bonds7

About 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide

3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide (PubChem CID 4952642) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
PubChem CID4952642
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
SMILESC=CCOc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O2S/c1-2-14-23-17-11-9-16(10-12-17)20-19(24)21-18(22)13-8-15-6-4-3-5-7-15/h2,9-12,15H,1,3-8,13-14H2,(H2,20,21,22,24)
InChIKeyQNIYQCKXBGJEFH-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
CID 4940830
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
N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 17188061
1-cyclopentyl-3-(4-prop-2-enoxyphenyl)thiourea
CID 100582894
3-cyclohexyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]propanamide
CID 17123697
2-cyclopentyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]acetamide
CID 54786717
3-cyclohexyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168099
3-cyclohexyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide
CID 17233725
4-tert-butyl-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]benzamide
CID 17235258

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide (CID 4952642) is 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide is C=CCOc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide?
The InChIKey is QNIYQCKXBGJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-2-14-23-17-11-9-16(10-12-17)20-19(24)21-18(22)13-8-15-6-4-3-5-7-15/h2,9-12,15H,1,3-8,13-14H2,(H2,20,21,22,24).
What are the key properties of 3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide?
3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide has a molecular weight of 346.50 g/mol, XLogP of 4.42, 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-prop-2-enoxyphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 4952642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).