N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide

C21H28N2O3S — CID 109061141

IUPACN-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-20(2,3)17-9-7-8-10-18(17)23-27(25,26)16-13-11-15(12-14-16)19(24)22-21(4,5)6/h7-14,23H,1-6H3,(H,22,24)
InChIKeySNWNFIGSEKHDGE-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.31
Rot. Bonds4

About N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide

N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide (PubChem CID 109061141) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
PubChem CID109061141
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C21H28N2O3S/c1-20(2,3)17-9-7-8-10-18(17)23-27(25,26)16-13-11-15(12-14-16)19(24)22-21(4,5)6/h7-14,23H,1-6H3,(H,22,24)
InChIKeySNWNFIGSEKHDGE-UHFFFAOYSA-N
XLogP4.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
1-tert-butyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]thiourea
CID 9275720
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109061140
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide
CID 26781170
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
CID 171762168
CID 171762168

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide (CID 109061141) is N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide is CC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide?
The InChIKey is SNWNFIGSEKHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-20(2,3)17-9-7-8-10-18(17)23-27(25,26)16-13-11-15(12-14-16)19(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-tert-butylphenyl)sulfamoyl]benzamide?
N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.31, 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-tert-butylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109061141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).