2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

C18H21N3O4S — CID 2097535

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H21N3O4S/c1-14-4-5-16(26(23,24)21-7-9-25-10-8-21)11-17(14)18(22)20-13-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,20,22)
InChIKeyDVSVJYZIUSDAKI-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.34
Rot. Bonds5

About 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2097535) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2097535
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H21N3O4S/c1-14-4-5-16(26(23,24)21-7-9-25-10-8-21)11-17(14)18(22)20-13-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,20,22)
InChIKeyDVSVJYZIUSDAKI-UHFFFAOYSA-N
XLogP1.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 2097535) is 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DVSVJYZIUSDAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-14-4-5-16(26(23,24)21-7-9-25-10-8-21)11-17(14)18(22)20-13-15-3-2-6-19-12-15/h2-6,11-12H,7-10,13H2,1H3,(H,20,22).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2097535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).