2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide

C17H23N3O3S2 — CID 54786315

IUPAC2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-2-11-18-25(22,23)15-9-7-14(8-10-15)19-17(24)20-16(21)12-13-5-3-4-6-13/h2,7-10,13,18H,1,3-6,11-12H2,(H2,19,20,21,24)
InChIKeyOPWYEUZHEKTWLL-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.54
Rot. Bonds7

About 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide

2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide (PubChem CID 54786315) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide
PubChem CID54786315
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide
SMILESC=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-2-11-18-25(22,23)15-9-7-14(8-10-15)19-17(24)20-16(21)12-13-5-3-4-6-13/h2,7-10,13,18H,1,3-6,11-12H2,(H2,19,20,21,24)
InChIKeyOPWYEUZHEKTWLL-UHFFFAOYSA-N
XLogP2.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]butanamide
CID 4930104
2-cyclopentyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 54786281
N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4930046
2-cyclopentyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]acetamide
CID 54786717
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786593
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 54786669
N-[4-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]-3-phenylpropanamide
CID 54786575
(E)-3-(2-chlorophenyl)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6233561
4-(2-methoxyethoxy)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353818

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide (CID 54786315) is 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide is C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)CC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide?
The InChIKey is OPWYEUZHEKTWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-2-11-18-25(22,23)15-9-7-14(8-10-15)19-17(24)20-16(21)12-13-5-3-4-6-13/h2,7-10,13,18H,1,3-6,11-12H2,(H2,19,20,21,24).
What are the key properties of 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide?
2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 54786315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).