N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide

C18H19Cl2N3O3S2 — CID 17133783

IUPACN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2N3O3S2/c1-18(2,3)23-28(25,26)15-6-4-14(5-7-15)21-17(27)22-16(24)11-8-12(19)10-13(20)9-11/h4-10,23H,1-3H3,(H2,21,22,24,27)
InChIKeyJQVAQSDAQWKLEP-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.20
Rot. Bonds4

About N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide

N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide (PubChem CID 17133783) has the molecular formula C18H19Cl2N3O3S2 and a molecular weight of 460.41 g/mol. Its IUPAC name is N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide
PubChem CID17133783
Molecular FormulaC18H19Cl2N3O3S2
Molecular Weight460.41 g/mol
Exact Mass459.02
IUPAC NameN-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H19Cl2N3O3S2/c1-18(2,3)23-28(25,26)15-6-4-14(5-7-15)21-17(27)22-16(24)11-8-12(19)10-13(20)9-11/h4-10,23H,1-3H3,(H2,21,22,24,27)
InChIKeyJQVAQSDAQWKLEP-UHFFFAOYSA-N
XLogP4.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.20
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-phenylbenzamide
CID 3252740
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952231
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 3252934
4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4936615
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-iodobenzamide
CID 3252743
5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3255395
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953046
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960309
3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17074018
N-[[4-(butanoylamino)phenyl]carbamothioyl]-3,5-dichlorobenzamide
CID 17202800
3-chloro-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4940381
3,5-dichloro-N-[(3-chloro-4-methylphenyl)carbamothioyl]benzamide
CID 17133786

Frequently Asked Questions

What is the IUPAC name of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide (CID 17133783) is N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide?
The InChIKey is JQVAQSDAQWKLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S2/c1-18(2,3)23-28(25,26)15-6-4-14(5-7-15)21-17(27)22-16(24)11-8-12(19)10-13(20)9-11/h4-10,23H,1-3H3,(H2,21,22,24,27).
What are the key properties of N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide?
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide has a molecular weight of 460.41 g/mol, XLogP of 4.20, 4 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]-3,5-dichlorobenzamide is sourced from PubChem (CID 17133783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).