N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide

C29H27N3O3S2 — CID 4631515

IUPACN-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C29H27N3O3S2/c1-20-17-21(2)19-25(18-20)32-37(34,35)26-15-13-24(14-16-26)30-29(36)31-28(33)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-19,27,32H,1-2H3,(H2,30,31,33,36)
InChIKeyWTTLIACSLNDFMX-UHFFFAOYSA-N
MW529.69 g/mol
LogP5.75
Rot. Bonds7

About N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide

N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide (PubChem CID 4631515) has the molecular formula C29H27N3O3S2 and a molecular weight of 529.69 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
PubChem CID4631515
Molecular FormulaC29H27N3O3S2
Molecular Weight529.69 g/mol
Exact Mass529.15
IUPAC NameN-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C29H27N3O3S2/c1-20-17-21(2)19-25(18-20)32-37(34,35)26-15-13-24(14-16-26)30-29(36)31-28(33)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-19,27,32H,1-2H3,(H2,30,31,33,36)
InChIKeyWTTLIACSLNDFMX-UHFFFAOYSA-N
XLogP5.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide 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

N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 4631517
2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
CID 1300022
2-chloro-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4627199
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
N-[(4-hydroxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 4630986
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
3-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-4-methylbenzamide
CID 3376202
5-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 89089617
methyl 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate
CID 1048113
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide
CID 4628963
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide (CID 4631515) is N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide?
The InChIKey is WTTLIACSLNDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3S2/c1-20-17-21(2)19-25(18-20)32-37(34,35)26-15-13-24(14-16-26)30-29(36)31-28(33)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-19,27,32H,1-2H3,(H2,30,31,33,36).
What are the key properties of N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide?
N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide has a molecular weight of 529.69 g/mol, XLogP of 5.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4631515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).