4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

C18H21N3O5S — CID 24979209

IUPAC4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21N3O5S/c1-13-4-3-7-19-17(13)20-18(22)14-5-6-15(25-2)16(12-14)27(23,24)21-8-10-26-11-9-21/h3-7,12H,8-11H2,1-2H3,(H,19,20,22)
InChIKeyPJCDQUABWJLPSZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.67
Rot. Bonds5

About 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 24979209) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID24979209
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21N3O5S/c1-13-4-3-7-19-17(13)20-18(22)14-5-6-15(25-2)16(12-14)27(23,24)21-8-10-26-11-9-21/h3-7,12H,8-11H2,1-2H3,(H,19,20,22)
InChIKeyPJCDQUABWJLPSZ-UHFFFAOYSA-N
XLogP1.67
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (CID 24979209) is 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PJCDQUABWJLPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13-4-3-7-19-17(13)20-18(22)14-5-6-15(25-2)16(12-14)27(23,24)21-8-10-26-11-9-21/h3-7,12H,8-11H2,1-2H3,(H,19,20,22).
What are the key properties of 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24979209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).