N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide

C16H23N3O3S2 — CID 1015217

IUPACN-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23N3O3S2/c1-2-15(20)18-16(23)17-12-8-10-14(11-9-12)24(21,22)19-13-6-4-3-5-7-13/h8-11,13,19H,2-7H2,1H3,(H2,17,18,20,23)
InChIKeyWYSBUJAWQRYESI-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.52
Rot. Bonds5

About N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide

N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide (PubChem CID 1015217) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide
PubChem CID1015217
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23N3O3S2/c1-2-15(20)18-16(23)17-12-8-10-14(11-9-12)24(21,22)19-13-6-4-3-5-7-13/h8-11,13,19H,2-7H2,1H3,(H2,17,18,20,23)
InChIKeyWYSBUJAWQRYESI-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide?
The IUPAC name of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide (CID 1015217) is N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide?
The canonical SMILES for N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide?
The InChIKey is WYSBUJAWQRYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-2-15(20)18-16(23)17-12-8-10-14(11-9-12)24(21,22)19-13-6-4-3-5-7-13/h8-11,13,19H,2-7H2,1H3,(H2,17,18,20,23).
What are the key properties of N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide?
N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 1015217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).