4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide

C19H26N4O4S — CID 3959870

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)CC(C)O1
InChIInChI=1S/C19H26N4O4S/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-4-17(5-7-18)19(24)21-8-3-10-22-11-9-20-14-22/h4-7,9,11,14-16H,3,8,10,12-13H2,1-2H3,(H,21,24)
InChIKeyXZRLCYJDDBDQPV-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.50
Rot. Bonds7

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 3959870) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID3959870
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)CC(C)O1
InChIInChI=1S/C19H26N4O4S/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-4-17(5-7-18)19(24)21-8-3-10-22-11-9-20-14-22/h4-7,9,11,14-16H,3,8,10,12-13H2,1-2H3,(H,21,24)
InChIKeyXZRLCYJDDBDQPV-UHFFFAOYSA-N
XLogP1.50
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide (CID 3959870) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is XZRLCYJDDBDQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-12-23(13-16(2)27-15)28(25,26)18-6-4-17(5-7-18)19(24)21-8-3-10-22-11-9-20-14-22/h4-7,9,11,14-16H,3,8,10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 406.51 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 3959870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).