4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C25H29N3O5S2 — CID 24982343

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(c3cccs3)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H29N3O5S2/c1-2-33-21-9-7-20(8-10-21)27-35(30,31)22-11-5-19(6-12-22)25(29)26-18-23(24-4-3-17-34-24)28-13-15-32-16-14-28/h3-12,17,23,27H,2,13-16,18H2,1H3,(H,26,29)
InChIKeyRMOSDVUEZXWWNB-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.75
Rot. Bonds10

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 24982343) has the molecular formula C25H29N3O5S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID24982343
Molecular FormulaC25H29N3O5S2
Molecular Weight515.66 g/mol
Exact Mass515.15
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(c3cccs3)N3CCOCC3)cc2)cc1
InChIInChI=1S/C25H29N3O5S2/c1-2-33-21-9-7-20(8-10-21)27-35(30,31)22-11-5-19(6-12-22)25(29)26-18-23(24-4-3-17-34-24)28-13-15-32-16-14-28/h3-12,17,23,27H,2,13-16,18H2,1H3,(H,26,29)
InChIKeyRMOSDVUEZXWWNB-UHFFFAOYSA-N
XLogP3.75
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 24982343) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(c3cccs3)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is RMOSDVUEZXWWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S2/c1-2-33-21-9-7-20(8-10-21)27-35(30,31)22-11-5-19(6-12-22)25(29)26-18-23(24-4-3-17-34-24)28-13-15-32-16-14-28/h3-12,17,23,27H,2,13-16,18H2,1H3,(H,26,29).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 515.66 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24982343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).