N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide

C18H22N2O6S — CID 9093791

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC
InChIInChI=1S/C18H22N2O6S/c1-20(2)27(22,23)13-8-6-7-12(9-13)19-18(21)14-10-16(25-4)17(26-5)11-15(14)24-3/h6-11H,1-5H3,(H,19,21)
InChIKeyKJLCFHQWSHPCLO-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.21
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide

N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide (PubChem CID 9093791) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
PubChem CID9093791
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC
InChIInChI=1S/C18H22N2O6S/c1-20(2)27(22,23)13-8-6-7-12(9-13)19-18(21)14-10-16(25-4)17(26-5)11-15(14)24-3/h6-11H,1-5H3,(H,19,21)
InChIKeyKJLCFHQWSHPCLO-UHFFFAOYSA-N
XLogP2.21
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[3-(dimethylsulfamoyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 26654034
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
2,4,5-trimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17403518
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811653
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide (CID 9093791) is N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OC.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide?
The InChIKey is KJLCFHQWSHPCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-20(2)27(22,23)13-8-6-7-12(9-13)19-18(21)14-10-16(25-4)17(26-5)11-15(14)24-3/h6-11H,1-5H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide?
N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide has a molecular weight of 394.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 9093791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).