2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C18H20N2O4S — CID 1010558

IUPAC2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-4-2-3-5-17(14)18(21)19-15-6-8-16(9-7-15)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyBHZCTULLYLZNRH-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1010558) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1010558
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-4-2-3-5-17(14)18(21)19-15-6-8-16(9-7-15)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyBHZCTULLYLZNRH-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1010558) is 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is BHZCTULLYLZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14-4-2-3-5-17(14)18(21)19-15-6-8-16(9-7-15)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1010558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).