N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide

C25H26N2O4S — CID 100621284

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C25H26N2O4S/c1-25(2,3)20-13-11-17(12-14-20)23(28)18-7-5-9-21(15-18)27-24(29)19-8-6-10-22(16-19)32(30,31)26-4/h5-16,26H,1-4H3,(H,27,29)
InChIKeyBPSKPMUASLUUGK-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.38
Rot. Bonds6

About N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide

N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide (PubChem CID 100621284) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
PubChem CID100621284
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C25H26N2O4S/c1-25(2,3)20-13-11-17(12-14-20)23(28)18-7-5-9-21(15-18)27-24(29)19-8-6-10-22(16-19)32(30,31)26-4/h5-16,26H,1-4H3,(H,27,29)
InChIKeyBPSKPMUASLUUGK-UHFFFAOYSA-N
XLogP4.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 46778684
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617026
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
CID 26583048
N-[1-(4-tert-butylphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 133231293
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide (CID 100621284) is N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is BPSKPMUASLUUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-25(2,3)20-13-11-17(12-14-20)23(28)18-7-5-9-21(15-18)27-24(29)19-8-6-10-22(16-19)32(30,31)26-4/h5-16,26H,1-4H3,(H,27,29).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 100621284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).