N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide

C19H20N2O5S3 — CID 4779633

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H20N2O5S3/c1-3-21(15-8-5-4-6-9-15)29(24,25)16-11-12-18(26-2)17(14-16)20-28(22,23)19-10-7-13-27-19/h4-14,20H,3H2,1-2H3
InChIKeyBCLKTDDVRMEXEB-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.77
Rot. Bonds8

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 4779633) has the molecular formula C19H20N2O5S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID4779633
Molecular FormulaC19H20N2O5S3
Molecular Weight452.58 g/mol
Exact Mass452.05
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H20N2O5S3/c1-3-21(15-8-5-4-6-9-15)29(24,25)16-11-12-18(26-2)17(14-16)20-28(22,23)19-10-7-13-27-19/h4-14,20H,3H2,1-2H3
InChIKeyBCLKTDDVRMEXEB-UHFFFAOYSA-N
XLogP3.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide (CID 4779633) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is BCLKTDDVRMEXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S3/c1-3-21(15-8-5-4-6-9-15)29(24,25)16-11-12-18(26-2)17(14-16)20-28(22,23)19-10-7-13-27-19/h4-14,20H,3H2,1-2H3.
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4779633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).