2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide

C13H15FN2OS — CID 5206285

IUPAC2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)NC1CCCC1
InChIInChI=1S/C13H15FN2OS/c14-9-5-7-11(8-6-9)15-12(17)13(18)16-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,15,17)(H,16,18)
InChIKeyQONWKAJCKPICHE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds2

About 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide

2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide (PubChem CID 5206285) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
PubChem CID5206285
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(F)cc1)C(=S)NC1CCCC1
InChIInChI=1S/C13H15FN2OS/c14-9-5-7-11(8-6-9)15-12(17)13(18)16-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,15,17)(H,16,18)
InChIKeyQONWKAJCKPICHE-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 10130948
2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
CID 2975664
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
6-N-cyclopentyl-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095033
1-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-fluorophenyl)thiourea
CID 914747
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
1-(cyclopentanecarbonylamino)-3-(4-fluorophenyl)thiourea
CID 9469539
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide (CID 5206285) is 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide is O=C(Nc1ccc(F)cc1)C(=S)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
The InChIKey is QONWKAJCKPICHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-9-5-7-11(8-6-9)15-12(17)13(18)16-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,15,17)(H,16,18).
What are the key properties of 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide?
2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide has a molecular weight of 266.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 5206285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).