2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide

C20H25N3O6S — CID 47085140

IUPAC2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(N)=O)cc1OC
InChIInChI=1S/C20H25N3O6S/c1-20(2,3)23-30(26,27)13-8-6-12(7-9-13)19(25)22-15-11-17(29-5)16(28-4)10-14(15)18(21)24/h6-11,23H,1-5H3,(H2,21,24)(H,22,25)
InChIKeyQMWRAOVVIXVAGO-UHFFFAOYSA-N
MW435.50 g/mol
LogP2.13
Rot. Bonds7

About 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide

2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide (PubChem CID 47085140) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
PubChem CID47085140
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(N)=O)cc1OC
InChIInChI=1S/C20H25N3O6S/c1-20(2,3)23-30(26,27)13-8-6-12(7-9-13)19(25)22-15-11-17(29-5)16(28-4)10-14(15)18(21)24/h6-11,23H,1-5H3,(H2,21,24)(H,22,25)
InChIKeyQMWRAOVVIXVAGO-UHFFFAOYSA-N
XLogP2.13
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
CID 56516978
N-(6-amino-1,3-benzodioxol-5-yl)-4-(tert-butylsulfamoyl)benzamide
CID 119618127
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 28867109
N-[4-(tert-butylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1306926
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
CID 56515635
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide
CID 29472703

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide?
The IUPAC name of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide (CID 47085140) is 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide is COc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(N)=O)cc1OC.
What is the InChIKey of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide?
The InChIKey is QMWRAOVVIXVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-20(2,3)23-30(26,27)13-8-6-12(7-9-13)19(25)22-15-11-17(29-5)16(28-4)10-14(15)18(21)24/h6-11,23H,1-5H3,(H2,21,24)(H,22,25).
What are the key properties of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide?
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide has a molecular weight of 435.50 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 47085140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).