3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide

C23H29N3O4S — CID 24979269

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3)c2)CC(C)O1
InChIInChI=1S/C23H29N3O4S/c1-17-15-26(16-18(2)30-17)31(28,29)20-9-7-8-19(14-20)23(27)24-21-10-3-4-11-22(21)25-12-5-6-13-25/h3-4,7-11,14,17-18H,5-6,12-13,15-16H2,1-2H3,(H,24,27)
InChIKeyQKXWGUZAOMFGLK-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.34
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 24979269) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID24979269
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3)c2)CC(C)O1
InChIInChI=1S/C23H29N3O4S/c1-17-15-26(16-18(2)30-17)31(28,29)20-9-7-8-19(14-20)23(27)24-21-10-3-4-11-22(21)25-12-5-6-13-25/h3-4,7-11,14,17-18H,5-6,12-13,15-16H2,1-2H3,(H,24,27)
InChIKeyQKXWGUZAOMFGLK-UHFFFAOYSA-N
XLogP3.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)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

N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 16545821
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984470
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3569749
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 24979269) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is QKXWGUZAOMFGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-15-26(16-18(2)30-17)31(28,29)20-9-7-8-19(14-20)23(27)24-21-10-3-4-11-22(21)25-12-5-6-13-25/h3-4,7-11,14,17-18H,5-6,12-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 24979269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).