4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C19H22N2O5S — CID 1216502

IUPAC4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S/c1-14-4-3-5-16(12-14)20-19(22)15-6-7-17(25-2)18(13-15)27(23,24)21-8-10-26-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)
InChIKeyJURORAJCGJSXPA-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.28
Rot. Bonds5

About 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1216502) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1216502
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S/c1-14-4-3-5-16(12-14)20-19(22)15-6-7-17(25-2)18(13-15)27(23,24)21-8-10-26-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)
InChIKeyJURORAJCGJSXPA-UHFFFAOYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PG-116800
CID 9848869
2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
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CID 2083341
N-[4-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 1617297
4-Methoxy-3-[(4-piperidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 2386064
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-methoxybenzamide
CID 2811596
Anti-Influenza agent 4
CID 4156245
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4405929
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4522036
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CID 4803938

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1216502) is 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JURORAJCGJSXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-4-3-5-16(12-14)20-19(22)15-6-7-17(25-2)18(13-15)27(23,24)21-8-10-26-11-9-21/h3-7,12-13H,8-11H2,1-2H3,(H,20,22).
What are the key properties of 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1216502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).