N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide

C24H25N3O3S2 — CID 3252740

IUPACN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3S2/c1-24(2,3)27-32(29,30)21-15-13-20(14-16-21)25-23(31)26-22(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16,27H,1-3H3,(H2,25,26,28,31)
InChIKeyUHXWHULJNSMOIU-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.56
Rot. Bonds5

About N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide

N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide (PubChem CID 3252740) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
PubChem CID3252740
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC NameN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3S2/c1-24(2,3)27-32(29,30)21-15-13-20(14-16-21)25-23(31)26-22(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16,27H,1-3H3,(H2,25,26,28,31)
InChIKeyUHXWHULJNSMOIU-UHFFFAOYSA-N
XLogP4.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.56
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-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953046
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952231
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide
CID 17133783
4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4936615
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-iodobenzamide
CID 3252743
N-[(4-aminophenyl)carbamothioyl]-4-phenylbenzamide
CID 91673982
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 3252934
5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3255395
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960309
3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17074018
4-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87471579
N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177606

Frequently Asked Questions

What is the IUPAC name of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide?
The IUPAC name of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide (CID 3252740) is N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide?
The canonical SMILES for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide?
The InChIKey is UHXWHULJNSMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-24(2,3)27-32(29,30)21-15-13-20(14-16-21)25-23(31)26-22(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16,27H,1-3H3,(H2,25,26,28,31).
What are the key properties of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide?
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide has a molecular weight of 467.62 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide is sourced from PubChem (CID 3252740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).