N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide

C20H26N2O6S2 — CID 129458061

IUPACN-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O6S2/c1-20(2,3)15-8-10-16(11-9-15)29(24,25)21-19(23)14-7-12-17(28-6)18(13-14)30(26,27)22(4)5/h7-13H,1-6H3,(H,21,23)
InChIKeyRVLGQWWHZTVWOX-UHFFFAOYSA-N
MW454.57 g/mol
LogP2.36
Rot. Bonds6

About N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 129458061) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID129458061
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC NameN-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N2O6S2/c1-20(2,3)15-8-10-16(11-9-15)29(24,25)21-19(23)14-7-12-17(28-6)18(13-14)30(26,27)22(4)5/h7-13H,1-6H3,(H,21,23)
InChIKeyRVLGQWWHZTVWOX-UHFFFAOYSA-N
XLogP2.36
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166832
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764009

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 129458061) is N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is RVLGQWWHZTVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-20(2,3)15-8-10-16(11-9-15)29(24,25)21-19(23)14-7-12-17(28-6)18(13-14)30(26,27)22(4)5/h7-13H,1-6H3,(H,21,23).
What are the key properties of N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 454.57 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)sulfonyl-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 129458061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).