2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

C20H26N2O6S — CID 9219948

IUPAC2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-13(2)22(3)29(24,25)15-9-7-14(8-10-15)21-20(23)16-11-12-17(26-4)19(28-6)18(16)27-5/h7-13H,1-6H3,(H,21,23)
InChIKeyFGLSXBNJJXLVCQ-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.99
Rot. Bonds8

About 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 9219948) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID9219948
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-13(2)22(3)29(24,25)15-9-7-14(8-10-15)21-20(23)16-11-12-17(26-4)19(28-6)18(16)27-5/h7-13H,1-6H3,(H,21,23)
InChIKeyFGLSXBNJJXLVCQ-UHFFFAOYSA-N
XLogP2.99
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 31120180
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
5-methoxy-4-(2-methoxyethoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 55466784
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
2-methoxy-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226771
N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
CID 110763410
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (CID 9219948) is 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is FGLSXBNJJXLVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-13(2)22(3)29(24,25)15-9-7-14(8-10-15)21-20(23)16-11-12-17(26-4)19(28-6)18(16)27-5/h7-13H,1-6H3,(H,21,23).
What are the key properties of 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 9219948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).