2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide

C19H28N2O2S — CID 54786775

IUPAC2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=S)NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-14(2)11-12-23-17-9-7-16(8-10-17)20-19(24)21-18(22)13-15-5-3-4-6-15/h7-10,14-15H,3-6,11-13H2,1-2H3,(H2,20,21,22,24)
InChIKeyQWXFZVWUAPPIDQ-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.50
Rot. Bonds7

About 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide

2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide (PubChem CID 54786775) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide
PubChem CID54786775
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=S)NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-14(2)11-12-23-17-9-7-16(8-10-17)20-19(24)21-18(22)13-15-5-3-4-6-15/h7-10,14-15H,3-6,11-13H2,1-2H3,(H2,20,21,22,24)
InChIKeyQWXFZVWUAPPIDQ-UHFFFAOYSA-N
XLogP4.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.50
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

N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 17137899
2,2-dimethyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]propanamide
CID 4950054
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]adamantane-1-carboxamide
CID 54787756
3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
CID 4940830
2-cyclopentyl-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54786144
propyl 4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4950056
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163959
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948886
4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 54786631
N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948889
4-methyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4950008

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide (CID 54786775) is 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide is CC(C)CCOc1ccc(NC(=S)NC(=O)CC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide?
The InChIKey is QWXFZVWUAPPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14(2)11-12-23-17-9-7-16(8-10-17)20-19(24)21-18(22)13-15-5-3-4-6-15/h7-10,14-15H,3-6,11-13H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide?
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide has a molecular weight of 348.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 54786775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).