N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide

C19H24N2O3S — CID 102223921

IUPACN-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-6-9-15(10-7-13)25(23,24)21-17-11-8-14(2)12-16(17)18(22)20-19(3,4)5/h6-12,21H,1-5H3,(H,20,22)
InChIKeyDORNLNYJKRGYQV-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.63
Rot. Bonds4

About N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide

N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 102223921) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID102223921
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-13-6-9-15(10-7-13)25(23,24)21-17-11-8-14(2)12-16(17)18(22)20-19(3,4)5/h6-12,21H,1-5H3,(H,20,22)
InChIKeyDORNLNYJKRGYQV-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457
4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 168865490
4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 171481855
4-methyl-N-[2-(2,2,2-trifluoroacetyl)-4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169373254
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 102223921) is N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is DORNLNYJKRGYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-6-9-15(10-7-13)25(23,24)21-17-11-8-14(2)12-16(17)18(22)20-19(3,4)5/h6-12,21H,1-5H3,(H,20,22).
What are the key properties of N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 102223921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).