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

C20H20N2O4S2 — CID 3932813

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H20N2O4S2/c1-3-22(15-8-5-4-6-9-15)28(24,25)16-11-12-18(26-2)17(14-16)21-20(23)19-10-7-13-27-19/h4-14H,3H2,1-2H3,(H,21,23)
InChIKeyYDRTUDZQHJZTEI-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.22
Rot. Bonds7

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

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 3932813) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID3932813
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H20N2O4S2/c1-3-22(15-8-5-4-6-9-15)28(24,25)16-11-12-18(26-2)17(14-16)21-20(23)19-10-7-13-27-19/h4-14H,3H2,1-2H3,(H,21,23)
InChIKeyYDRTUDZQHJZTEI-UHFFFAOYSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide (CID 3932813) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is YDRTUDZQHJZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-3-22(15-8-5-4-6-9-15)28(24,25)16-11-12-18(26-2)17(14-16)21-20(23)19-10-7-13-27-19/h4-14H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3932813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).