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

C30H28N2O4S — CID 92676676

IUPAC4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C30H28N2O4S/c1-30(2,3)24-16-12-21(13-17-24)28(33)23-8-7-9-26(20-23)31-29(34)22-14-18-25(19-15-22)32-37(35,36)27-10-5-4-6-11-27/h4-20,32H,1-3H3,(H,31,34)
InChIKeyRGISANAKVSEROW-UHFFFAOYSA-N
MW512.63 g/mol
LogP6.27
Rot. Bonds7

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

4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide (PubChem CID 92676676) has the molecular formula C30H28N2O4S and a molecular weight of 512.63 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
PubChem CID92676676
Molecular FormulaC30H28N2O4S
Molecular Weight512.63 g/mol
Exact Mass512.18
IUPAC Name4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C30H28N2O4S/c1-30(2,3)24-16-12-21(13-17-24)28(33)23-8-7-9-26(20-23)31-29(34)22-14-18-25(19-15-22)32-37(35,36)27-10-5-4-6-11-27/h4-20,32H,1-3H3,(H,31,34)
InChIKeyRGISANAKVSEROW-UHFFFAOYSA-N
XLogP6.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
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-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide (CID 92676676) is 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide?
The InChIKey is RGISANAKVSEROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S/c1-30(2,3)24-16-12-21(13-17-24)28(33)23-8-7-9-26(20-23)31-29(34)22-14-18-25(19-15-22)32-37(35,36)27-10-5-4-6-11-27/h4-20,32H,1-3H3,(H,31,34).
What are the key properties of 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide?
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide has a molecular weight of 512.63 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide is sourced from PubChem (CID 92676676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).