2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide

C18H20N2OS — CID 54786425

IUPAC2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C18H20N2OS/c21-17(12-13-6-1-2-7-13)20-18(22)19-16-11-5-9-14-8-3-4-10-15(14)16/h3-5,8-11,13H,1-2,6-7,12H2,(H2,19,20,21,22)
InChIKeyGCVHPTNRNJFSIC-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.23
Rot. Bonds3

About 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide

2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide (PubChem CID 54786425) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
PubChem CID54786425
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C18H20N2OS/c21-17(12-13-6-1-2-7-13)20-18(22)19-16-11-5-9-14-8-3-4-10-15(14)16/h3-5,8-11,13H,1-2,6-7,12H2,(H2,19,20,21,22)
InChIKeyGCVHPTNRNJFSIC-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(naphthalen-1-ylcarbamothioyl)cyclopropanecarboxamide
CID 916713
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-cyclopentylacetamide
CID 54786796
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
N-[4-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]-3-phenylpropanamide
CID 54786575
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
CID 54786588
N-[4-chloro-3-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]butanamide
CID 54786752
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405
N-benzyl-3-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786576
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide (CID 54786425) is 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide is O=C(CC1CCCC1)NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The InChIKey is GCVHPTNRNJFSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-17(12-13-6-1-2-7-13)20-18(22)19-16-11-5-9-14-8-3-4-10-15(14)16/h3-5,8-11,13H,1-2,6-7,12H2,(H2,19,20,21,22).
What are the key properties of 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide?
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide is sourced from PubChem (CID 54786425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).