4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide

C20H24N2O5S — CID 42907603

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CO)c3)cc2)CC(C)O1
InChIInChI=1S/C20H24N2O5S/c1-14-11-22(12-15(2)27-14)28(25,26)19-8-6-17(7-9-19)20(24)21-18-5-3-4-16(10-18)13-23/h3-10,14-15,23H,11-13H2,1-2H3,(H,21,24)
InChIKeyAFTDOUNXCFUCNN-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.23
Rot. Bonds5

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 42907603) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID42907603
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CO)c3)cc2)CC(C)O1
InChIInChI=1S/C20H24N2O5S/c1-14-11-22(12-15(2)27-14)28(25,26)19-8-6-17(7-9-19)20(24)21-18-5-3-4-16(10-18)13-23/h3-10,14-15,23H,11-13H2,1-2H3,(H,21,24)
InChIKeyAFTDOUNXCFUCNN-UHFFFAOYSA-N
XLogP2.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide (CID 42907603) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(CO)c3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is AFTDOUNXCFUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14-11-22(12-15(2)27-14)28(25,26)19-8-6-17(7-9-19)20(24)21-18-5-3-4-16(10-18)13-23/h3-10,14-15,23H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 42907603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).