3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide

C21H28N2O6S — CID 18190067

IUPAC3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O6S/c1-6-27-17-11-15(12-18(28-7-2)20(17)29-8-3)21(24)23-16-10-9-14(4)19(13-16)30(25,26)22-5/h9-13,22H,6-8H2,1-5H3,(H,23,24)
InChIKeyNKTZROODBZJBRF-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.35
Rot. Bonds10

About 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide

3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (PubChem CID 18190067) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
PubChem CID18190067
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O6S/c1-6-27-17-11-15(12-18(28-7-2)20(17)29-8-3)21(24)23-16-10-9-14(4)19(13-16)30(25,26)22-5/h9-13,22H,6-8H2,1-5H3,(H,23,24)
InChIKeyNKTZROODBZJBRF-UHFFFAOYSA-N
XLogP3.35
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4849315
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-phenylmethoxybenzamide
CID 9107189
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(2-methylpropyl)benzamide
CID 9107411
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
CID 46402299
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 2520365
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
5-ethyl-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9479381

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide (CID 18190067) is 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is NKTZROODBZJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-6-27-17-11-15(12-18(28-7-2)20(17)29-8-3)21(24)23-16-10-9-14(4)19(13-16)30(25,26)22-5/h9-13,22H,6-8H2,1-5H3,(H,23,24).
What are the key properties of 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide?
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 18190067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).