4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide

C20H26N2O3S — CID 55917339

IUPAC4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1C
InChIInChI=1S/C20H26N2O3S/c1-14-8-7-9-18(15(14)2)22(6)19(23)16-10-12-17(13-11-16)26(24,25)21-20(3,4)5/h7-13,21H,1-6H3
InChIKeyJWQIHUZOPOTIKB-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.66
Rot. Bonds4

About 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide

4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide (PubChem CID 55917339) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide
PubChem CID55917339
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1C
InChIInChI=1S/C20H26N2O3S/c1-14-8-7-9-18(15(14)2)22(6)19(23)16-10-12-17(13-11-16)26(24,25)21-20(3,4)5/h7-13,21H,1-6H3
InChIKeyJWQIHUZOPOTIKB-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
CID 47313955
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 46689119
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
3-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 8714252
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
5-(tert-butylsulfamoyl)-N,2-dimethyl-N-phenylbenzamide
CID 34491151
3-[(2,3-dimethylphenyl)-methylsulfamoyl]benzoic acid
CID 94622722
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 39860972
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 55917329
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide (CID 55917339) is 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide is Cc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1C.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide?
The InChIKey is JWQIHUZOPOTIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-8-7-9-18(15(14)2)22(6)19(23)16-10-12-17(13-11-16)26(24,25)21-20(3,4)5/h7-13,21H,1-6H3.
What are the key properties of 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide?
4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(2,3-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 55917339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).