N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C33H34N2O4S — CID 46778684

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1
InChIInChI=1S/C33H34N2O4S/c1-21-16-22(2)18-29(17-21)35-40(38,39)30-20-26(11-10-23(30)3)32(37)34-28-9-7-8-25(19-28)31(36)24-12-14-27(15-13-24)33(4,5)6/h7-20,35H,1-6H3,(H,34,37)
InChIKeyVYBYDLFZQFDHEW-UHFFFAOYSA-N
MW554.71 g/mol
LogP7.19
Rot. Bonds7

About N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 46778684) has the molecular formula C33H34N2O4S and a molecular weight of 554.71 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID46778684
Molecular FormulaC33H34N2O4S
Molecular Weight554.71 g/mol
Exact Mass554.22
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1
InChIInChI=1S/C33H34N2O4S/c1-21-16-22(2)18-29(17-21)35-40(38,39)30-20-26(11-10-23(30)3)32(37)34-28-9-7-8-25(19-28)31(36)24-12-14-27(15-13-24)33(4,5)6/h7-20,35H,1-6H3,(H,34,37)
InChIKeyVYBYDLFZQFDHEW-UHFFFAOYSA-N
XLogP7.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.71
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 46778684) is N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)ccc2C)c1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is VYBYDLFZQFDHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4S/c1-21-16-22(2)18-29(17-21)35-40(38,39)30-20-26(11-10-23(30)3)32(37)34-28-9-7-8-25(19-28)31(36)24-12-14-27(15-13-24)33(4,5)6/h7-20,35H,1-6H3,(H,34,37).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 554.71 g/mol, XLogP of 7.19, 7 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-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 46778684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).