2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide

C21H19N3O3S2 — CID 1300022

IUPAC2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S2/c22-29(26,27)18-13-11-17(12-14-18)23-21(28)24-20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,26,27)(H2,23,24,25,28)
InChIKeyXQVXENIODSGHEK-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.98
Rot. Bonds5

About 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide

2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide (PubChem CID 1300022) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
PubChem CID1300022
Molecular FormulaC21H19N3O3S2
Molecular Weight425.54 g/mol
Exact Mass425.09
IUPAC Name2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
SMILESNS(=O)(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S2/c22-29(26,27)18-13-11-17(12-14-18)23-21(28)24-20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,26,27)(H2,23,24,25,28)
InChIKeyXQVXENIODSGHEK-UHFFFAOYSA-N
XLogP2.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.98
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-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
N-[(4-fluorophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048111
N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631517
N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631515
N-[[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]carbamothioyl]propanamide
CID 4634604
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
2-chloro-5-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 1329168
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270
N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4940733
N-[(3-bromophenyl)carbamothioyl]-2,2-diphenylacetamide
CID 17252411
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide (CID 1300022) is 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide is NS(=O)(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
The InChIKey is XQVXENIODSGHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c22-29(26,27)18-13-11-17(12-14-18)23-21(28)24-20(25)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,22,26,27)(H2,23,24,25,28).
What are the key properties of 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide?
2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 1300022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).