N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide

C24H24N2O6S — CID 3665512

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H24N2O6S/c1-30-23-11-10-21(33(28,29)26-12-14-31-15-13-26)17-22(23)25-24(27)18-6-5-9-20(16-18)32-19-7-3-2-4-8-19/h2-11,16-17H,12-15H2,1H3,(H,25,27)
InChIKeyHCSMXIVVYVRCJA-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.76
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide (PubChem CID 3665512) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
PubChem CID3665512
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H24N2O6S/c1-30-23-11-10-21(33(28,29)26-12-14-31-15-13-26)17-22(23)25-24(27)18-6-5-9-20(16-18)32-19-7-3-2-4-8-19/h2-11,16-17H,12-15H2,1H3,(H,25,27)
InChIKeyHCSMXIVVYVRCJA-UHFFFAOYSA-N
XLogP3.76
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide (CID 3665512) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide?
The InChIKey is HCSMXIVVYVRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-30-23-11-10-21(33(28,29)26-12-14-31-15-13-26)17-22(23)25-24(27)18-6-5-9-20(16-18)32-19-7-3-2-4-8-19/h2-11,16-17H,12-15H2,1H3,(H,25,27).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide has a molecular weight of 468.53 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide is sourced from PubChem (CID 3665512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).