3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide

C19H21N3O3S2 — CID 4932903

IUPAC3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-2-14-20-27(24,25)17-11-9-16(10-12-17)21-19(26)22-18(23)13-8-15-6-4-3-5-7-15/h3-13,20H,2,14H2,1H3,(H2,21,22,23,26)
InChIKeyLBPPGHXAIJZHCT-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.90
Rot. Bonds7

About 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide

3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide (PubChem CID 4932903) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
PubChem CID4932903
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S2/c1-2-14-20-27(24,25)17-11-9-16(10-12-17)21-19(26)22-18(23)13-8-15-6-4-3-5-7-15/h3-13,20H,2,14H2,1H3,(H2,21,22,23,26)
InChIKeyLBPPGHXAIJZHCT-UHFFFAOYSA-N
XLogP2.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-oxo-4-[[4-(propylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate
CID 4932992
N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]pentanamide
CID 4932989
3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 4932632
N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 4778490
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
(E)-N-[(4-acetylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786688
N-[(4-iodophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 1380280
N-[(4-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 2887824
(E)-3-(2-chlorophenyl)-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 6297348
methyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
CID 826517
2-methoxy-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4932985
(E)-3-(4-nitrophenyl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 17187106

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
The IUPAC name of 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide (CID 4932903) is 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
The canonical SMILES for 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide is CCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
The InChIKey is LBPPGHXAIJZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-2-14-20-27(24,25)17-11-9-16(10-12-17)21-19(26)22-18(23)13-8-15-6-4-3-5-7-15/h3-13,20H,2,14H2,1H3,(H2,21,22,23,26).
What are the key properties of 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide?
3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide has a molecular weight of 403.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide is sourced from PubChem (CID 4932903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).