N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

C20H26N2O3S — CID 24663110

IUPACN-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-13-11-14(2)18(15(3)12-13)26(24,25)22-17-9-7-16(8-10-17)19(23)21-20(4,5)6/h7-12,22H,1-6H3,(H,21,23)
InChIKeyXGDKCGAJLKZJSI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.94
Rot. Bonds4

About N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide

N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (PubChem CID 24663110) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
PubChem CID24663110
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-13-11-14(2)18(15(3)12-13)26(24,25)22-17-9-7-16(8-10-17)19(23)21-20(4,5)6/h7-12,22H,1-6H3,(H,21,23)
InChIKeyXGDKCGAJLKZJSI-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
propyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 2227574
N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 24663149
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
CID 55521125
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-ethyl-4-[1-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]benzamide
CID 50825657
4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 43016594
4-tert-butyl-2,6-dimethyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951380

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide (CID 24663110) is N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1.
What is the InChIKey of N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
The InChIKey is XGDKCGAJLKZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13-11-14(2)18(15(3)12-13)26(24,25)22-17-9-7-16(8-10-17)19(23)21-20(4,5)6/h7-12,22H,1-6H3,(H,21,23).
What are the key properties of N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide?
N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24663110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).