3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide

C21H33N3O5S — CID 55742045

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCCCCN3CCOCC3)c2)CC(C)O1
InChIInChI=1S/C21H33N3O5S/c1-17-15-24(16-18(2)29-17)30(26,27)20-7-5-6-19(14-20)21(25)22-8-3-4-9-23-10-12-28-13-11-23/h5-7,14,17-18H,3-4,8-13,15-16H2,1-2H3,(H,22,25)
InChIKeyQKQJRGFPWXAAPM-UHFFFAOYSA-N
MW439.58 g/mol
LogP1.33
Rot. Bonds8

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide (PubChem CID 55742045) has the molecular formula C21H33N3O5S and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
PubChem CID55742045
Molecular FormulaC21H33N3O5S
Molecular Weight439.58 g/mol
Exact Mass439.21
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCCCCN3CCOCC3)c2)CC(C)O1
InChIInChI=1S/C21H33N3O5S/c1-17-15-24(16-18(2)29-17)30(26,27)20-7-5-6-19(14-20)21(25)22-8-3-4-9-23-10-12-28-13-11-23/h5-7,14,17-18H,3-4,8-13,15-16H2,1-2H3,(H,22,25)
InChIKeyQKQJRGFPWXAAPM-UHFFFAOYSA-N
XLogP1.33
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)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-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 7905794
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide (CID 55742045) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)NCCCCN3CCOCC3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide?
The InChIKey is QKQJRGFPWXAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5S/c1-17-15-24(16-18(2)29-17)30(26,27)20-7-5-6-19(14-20)21(25)22-8-3-4-9-23-10-12-28-13-11-23/h5-7,14,17-18H,3-4,8-13,15-16H2,1-2H3,(H,22,25).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide has a molecular weight of 439.58 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide is sourced from PubChem (CID 55742045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).