N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C20H31N3O6S2 — CID 55337309

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C20H31N3O6S2/c1-4-23(5-2)31(26,27)18-13-16(7-8-17(18)29-6-3)21-19(24)14-30-15-20(25)22-9-11-28-12-10-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3,(H,21,24)
InChIKeyCJEIYEMSHGQCOJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP1.65
Rot. Bonds11

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55337309) has the molecular formula C20H31N3O6S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55337309
Molecular FormulaC20H31N3O6S2
Molecular Weight473.62 g/mol
Exact Mass473.17
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C20H31N3O6S2/c1-4-23(5-2)31(26,27)18-13-16(7-8-17(18)29-6-3)21-19(24)14-30-15-20(25)22-9-11-28-12-10-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3,(H,21,24)
InChIKeyCJEIYEMSHGQCOJ-UHFFFAOYSA-N
XLogP1.65
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55329432
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55338802
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24620340
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24559093
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 31743631

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55337309) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCOc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is CJEIYEMSHGQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6S2/c1-4-23(5-2)31(26,27)18-13-16(7-8-17(18)29-6-3)21-19(24)14-30-15-20(25)22-9-11-28-12-10-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 473.62 g/mol, XLogP of 1.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55337309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).