4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

C18H21N3O5S — CID 1309905

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21N3O5S/c1-25-16-5-4-15(18(22)20-13-14-3-2-6-19-12-14)11-17(16)27(23,24)21-7-9-26-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,20,22)
InChIKeyXIHDXPZNVXHEFD-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.04
Rot. Bonds6

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1309905) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1309905
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21N3O5S/c1-25-16-5-4-15(18(22)20-13-14-3-2-6-19-12-14)11-17(16)27(23,24)21-7-9-26-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,20,22)
InChIKeyXIHDXPZNVXHEFD-UHFFFAOYSA-N
XLogP1.04
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 1309905) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XIHDXPZNVXHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-16-5-4-15(18(22)20-13-14-3-2-6-19-12-14)11-17(16)27(23,24)21-7-9-26-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,20,22).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1309905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).