N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide

C15H23N3O3S2 — CID 4932989

IUPACN-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NCCC)cc1
InChIInChI=1S/C15H23N3O3S2/c1-3-5-6-14(19)18-15(22)17-12-7-9-13(10-8-12)23(20,21)16-11-4-2/h7-10,16H,3-6,11H2,1-2H3,(H2,17,18,19,22)
InChIKeyCKMPLSQZUIJGLG-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.38
Rot. Bonds8

About N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide

N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide (PubChem CID 4932989) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide
PubChem CID4932989
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NCCC)cc1
InChIInChI=1S/C15H23N3O3S2/c1-3-5-6-14(19)18-15(22)17-12-7-9-13(10-8-12)23(20,21)16-11-4-2/h7-10,16H,3-6,11H2,1-2H3,(H2,17,18,19,22)
InChIKeyCKMPLSQZUIJGLG-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
ethyl 4-oxo-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate
CID 4932992
3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 4932903
4-chloro-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4932898
N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]octanamide
CID 4958972
N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]hexanamide
CID 4954088
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]tetradecanamide
CID 54792208
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
2-methoxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4932985
methyl 4-(pentanoylcarbamothioylamino)benzoate
CID 4925700

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide?
The IUPAC name of N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide (CID 4932989) is N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide.
What is the SMILES notation for N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide?
The canonical SMILES for N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)NCCC)cc1.
What is the InChIKey of N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide?
The InChIKey is CKMPLSQZUIJGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-3-5-6-14(19)18-15(22)17-12-7-9-13(10-8-12)23(20,21)16-11-4-2/h7-10,16H,3-6,11H2,1-2H3,(H2,17,18,19,22).
What are the key properties of N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide?
N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide has a molecular weight of 357.50 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide is sourced from PubChem (CID 4932989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).