N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide

C21H28N2O3S — CID 109061140

IUPACN-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-15(3)19(18)23-27(25,26)17-12-10-16(11-13-17)20(24)22-21(4,5)6/h7-14,23H,1-6H3,(H,22,24)
InChIKeyIHCOXCQZJSJCNC-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.45
Rot. Bonds5

About N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide

N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide (PubChem CID 109061140) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
PubChem CID109061140
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-15(3)19(18)23-27(25,26)17-12-10-16(11-13-17)20(24)22-21(4,5)6/h7-14,23H,1-6H3,(H,22,24)
InChIKeyIHCOXCQZJSJCNC-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 46689119
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
4-(cyclopropylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109058403
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
CID 99582827
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
N-(2-methyl-6-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2701412
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
CID 109061141
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
N-(2-methoxyethyl)-3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109063672

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide (CID 109061140) is N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide is Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide?
The InChIKey is IHCOXCQZJSJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-14(2)18-9-7-8-15(3)19(18)23-27(25,26)17-12-10-16(11-13-17)20(24)22-21(4,5)6/h7-14,23H,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide?
N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.45, 5 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-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109061140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).