N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide

C17H17N3O4S2 — CID 1303104

IUPACN-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3O4S2/c1-12(21)20-26(23,24)15-9-7-14(8-10-15)18-17(25)19-16(22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21)(H2,18,19,22,25)
InChIKeyNBIUAHWEDLAZNR-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.57
Rot. Bonds5

About N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide

N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide (PubChem CID 1303104) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide
PubChem CID1303104
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3O4S2/c1-12(21)20-26(23,24)15-9-7-14(8-10-15)18-17(25)19-16(22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21)(H2,18,19,22,25)
InChIKeyNBIUAHWEDLAZNR-UHFFFAOYSA-N
XLogP1.57
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide 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-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
4-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3476048
N-cyclohexyl-4-{[(isobutyrylamino)carbothioyl]amino}benzenesulfonamide
CID 1792409
Sulfonamide deriv., 7d
CID 44520901
N-cyclohexyl-4-{[(propionylamino)carbothioyl]amino}benzenesulfonamide
CID 1015217
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 1071416
N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 780268
3-methyl-N-[(4 sulfamoylphenyl)carbamothioyl]benzamide
CID 905210
N-({[4-(4-morpholinylsulfonyl)phenyl]amino}carbonothioyl)-3-phenylpropanamide
CID 1014410
4-{[(benzoylamino)carbothioyl]amino}-N-methyl-N-phenylbenzenesulfonamide
CID 1226740
N-benzyl-4-{[(isobutyrylamino)carbothioyl]amino}-N-methylbenzenesulfonamide
CID 1792408

Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide (CID 1303104) is N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide?
The InChIKey is NBIUAHWEDLAZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-12(21)20-26(23,24)15-9-7-14(8-10-15)18-17(25)19-16(22)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21)(H2,18,19,22,25).
What are the key properties of N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide?
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide has a molecular weight of 391.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 1303104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).