N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide

C17H22N2O4S2 — CID 26901199

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sccc2C)c1
InChIInChI=1S/C17H22N2O4S2/c1-5-19(6-2)25(21,22)13-7-8-15(23-4)14(11-13)18-17(20)16-12(3)9-10-24-16/h7-11H,5-6H2,1-4H3,(H,18,20)
InChIKeyYXHYIJJYVHBTKM-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.35
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 26901199) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
PubChem CID26901199
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sccc2C)c1
InChIInChI=1S/C17H22N2O4S2/c1-5-19(6-2)25(21,22)13-7-8-15(23-4)14(11-13)18-17(20)16-12(3)9-10-24-16/h7-11H,5-6H2,1-4H3,(H,18,20)
InChIKeyYXHYIJJYVHBTKM-UHFFFAOYSA-N
XLogP3.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide (CID 26901199) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sccc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is YXHYIJJYVHBTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-5-19(6-2)25(21,22)13-7-8-15(23-4)14(11-13)18-17(20)16-12(3)9-10-24-16/h7-11H,5-6H2,1-4H3,(H,18,20).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 26901199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).