N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide

C19H24N2O5S — CID 9086633

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC
InChIInChI=1S/C19H24N2O5S/c1-5-26-13-15-12-14(6-11-18(15)25-4)19(22)20-16-7-9-17(10-8-16)27(23,24)21(2)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyJNDUSXOTLCKJCC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.73
Rot. Bonds8

About N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide

N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide (PubChem CID 9086633) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
PubChem CID9086633
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC
InChIInChI=1S/C19H24N2O5S/c1-5-26-13-15-12-14(6-11-18(15)25-4)19(22)20-16-7-9-17(10-8-16)27(23,24)21(2)3/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyJNDUSXOTLCKJCC-UHFFFAOYSA-N
XLogP2.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide (CID 9086633) is N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide is CCOCc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)ccc1OC.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide?
The InChIKey is JNDUSXOTLCKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-5-26-13-15-12-14(6-11-18(15)25-4)19(22)20-16-7-9-17(10-8-16)27(23,24)21(2)3/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide?
N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide is sourced from PubChem (CID 9086633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).