3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide

C21H30N3O4S2+ — CID 2309067

IUPAC3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1
InChIInChI=1S/C21H29N3O4S2/c1-3-24(4-2)30(26,27)18-8-5-7-17(15-18)21(25)22-16-19(20-9-6-14-29-20)23-10-12-28-13-11-23/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1
InChIKeyWTJYBKIASWYIBP-LJQANCHMSA-O
MW452.62 g/mol
LogP1.16
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide

3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 2309067) has the molecular formula C21H30N3O4S2+ and a molecular weight of 452.62 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID2309067
Molecular FormulaC21H30N3O4S2+
Molecular Weight452.62 g/mol
Exact Mass452.17
IUPAC Name3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1
InChIInChI=1S/C21H29N3O4S2/c1-3-24(4-2)30(26,27)18-8-5-7-17(15-18)21(25)22-16-19(20-9-6-14-29-20)23-10-12-28-13-11-23/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1
InChIKeyWTJYBKIASWYIBP-LJQANCHMSA-O
XLogP1.16
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide 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

3-(dimethylsulfamoyl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
CID 8799362
3-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 4501315
3,4,5-trimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
CID 8799365
3-(diethylsulfamoyl)-N-[(1S,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330968
4-[(4-tert-butylphenoxy)methyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2510514
4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2510520
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-3-methylbenzamide
CID 7496907
4-bromo-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 8798377
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 9094162

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide (CID 2309067) is 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is WTJYBKIASWYIBP-LJQANCHMSA-O. The full InChI is InChI=1S/C21H29N3O4S2/c1-3-24(4-2)30(26,27)18-8-5-7-17(15-18)21(25)22-16-19(20-9-6-14-29-20)23-10-12-28-13-11-23/h5-9,14-15,19H,3-4,10-13,16H2,1-2H3,(H,22,25)/p+1/t19-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 452.62 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 2309067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).