4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide

C22H27N3O5S — CID 91629762

IUPAC4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
SMILESO=C(NC(c1cccnc1)C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c26-22(24-21(17-7-12-29-13-8-17)19-2-1-9-23-16-19)18-3-5-20(6-4-18)31(27,28)25-10-14-30-15-11-25/h1-6,9,16-17,21H,7-8,10-15H2,(H,24,26)
InChIKeyQNJABPLCRSPWFM-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.00
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide

4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide (PubChem CID 91629762) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
PubChem CID91629762
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
SMILESO=C(NC(c1cccnc1)C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c26-22(24-21(17-7-12-29-13-8-17)19-2-1-9-23-16-19)18-3-5-20(6-4-18)31(27,28)25-10-14-30-15-11-25/h1-6,9,16-17,21H,7-8,10-15H2,(H,24,26)
InChIKeyQNJABPLCRSPWFM-UHFFFAOYSA-N
XLogP2.00
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide (CID 91629762) is 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide is O=C(NC(c1cccnc1)C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The InChIKey is QNJABPLCRSPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c26-22(24-21(17-7-12-29-13-8-17)19-2-1-9-23-16-19)18-3-5-20(6-4-18)31(27,28)25-10-14-30-15-11-25/h1-6,9,16-17,21H,7-8,10-15H2,(H,24,26).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 91629762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).