4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide

C19H23N3O4S — CID 5193187

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-4-10-20-18(13)21-19(23)16-6-8-17(9-7-16)27(24,25)22-11-14(2)26-15(3)12-22/h4-10,14-15H,11-12H2,1-3H3,(H,20,21,23)
InChIKeyOLNKHJPTWJMKST-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.44
Rot. Bonds4

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 5193187) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID5193187
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H23N3O4S/c1-13-5-4-10-20-18(13)21-19(23)16-6-8-17(9-7-16)27(24,25)22-11-14(2)26-15(3)12-22/h4-10,14-15H,11-12H2,1-3H3,(H,20,21,23)
InChIKeyOLNKHJPTWJMKST-UHFFFAOYSA-N
XLogP2.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide (CID 5193187) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is OLNKHJPTWJMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-5-4-10-20-18(13)21-19(23)16-6-8-17(9-7-16)27(24,25)22-11-14(2)26-15(3)12-22/h4-10,14-15H,11-12H2,1-3H3,(H,20,21,23).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 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-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 5193187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).