methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate

C18H22N2O5S2 — CID 71796502

IUPACmethyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-24-18(21)14-2-4-16(5-3-14)27(22,23)19-12-17(15-6-11-26-13-15)20-7-9-25-10-8-20/h2-6,11,13,17,19H,7-10,12H2,1H3
InChIKeyDJNDVYZVGVAHHZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.89
Rot. Bonds7

About methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate

methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate (PubChem CID 71796502) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate
PubChem CID71796502
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Namemethyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-24-18(21)14-2-4-16(5-3-14)27(22,23)19-12-17(15-6-11-26-13-15)20-7-9-25-10-8-20/h2-6,11,13,17,19H,7-10,12H2,1H3
InChIKeyDJNDVYZVGVAHHZ-UHFFFAOYSA-N
XLogP1.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate (CID 71796502) is methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
The InChIKey is DJNDVYZVGVAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-24-18(21)14-2-4-16(5-3-14)27(22,23)19-12-17(15-6-11-26-13-15)20-7-9-25-10-8-20/h2-6,11,13,17,19H,7-10,12H2,1H3.
What are the key properties of methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate?
methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate has a molecular weight of 410.52 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)sulfamoyl]benzoate is sourced from PubChem (CID 71796502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).