N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

C18H20N2O5S — CID 1081943

IUPACN-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-17-8-3-2-7-16(17)19-18(21)14-5-4-6-15(13-14)26(22,23)20-9-11-25-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyFJPYCRQTFAPEDC-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.97
Rot. Bonds5

About N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1081943) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1081943
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-17-8-3-2-7-16(17)19-18(21)14-5-4-6-15(13-14)26(22,23)20-9-11-25-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21)
InChIKeyFJPYCRQTFAPEDC-UHFFFAOYSA-N
XLogP1.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1081943) is N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FJPYCRQTFAPEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-17-8-3-2-7-16(17)19-18(21)14-5-4-6-15(13-14)26(22,23)20-9-11-25-12-10-20/h2-8,13H,9-12H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1081943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).