3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C25H29N3O4S2 — CID 24983032

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C25H29N3O4S2/c1-2-28(21-9-4-3-5-10-21)34(30,31)22-11-6-8-20(18-22)25(29)26-19-23(24-12-7-17-33-24)27-13-15-32-16-14-27/h3-12,17-18,23H,2,13-16,19H2,1H3,(H,26,29)
InChIKeyLWGRHZWTZKUEMW-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.77
Rot. Bonds9

About 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 24983032) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID24983032
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1
InChIInChI=1S/C25H29N3O4S2/c1-2-28(21-9-4-3-5-10-21)34(30,31)22-11-6-8-20(18-22)25(29)26-19-23(24-12-7-17-33-24)27-13-15-32-16-14-27/h3-12,17-18,23H,2,13-16,19H2,1H3,(H,26,29)
InChIKeyLWGRHZWTZKUEMW-UHFFFAOYSA-N
XLogP3.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 24983032) is 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(c2cccs2)N2CCOCC2)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is LWGRHZWTZKUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-2-28(21-9-4-3-5-10-21)34(30,31)22-11-6-8-20(18-22)25(29)26-19-23(24-12-7-17-33-24)27-13-15-32-16-14-27/h3-12,17-18,23H,2,13-16,19H2,1H3,(H,26,29).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 499.66 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24983032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).