2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide

C25H27N3O5S — CID 2332871

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-33-19-11-13-20(14-12-19)34(30,31)27-22-8-4-3-7-21(22)25(29)26-23-9-5-6-10-24(23)28-15-17-32-18-16-28/h3-14,27H,2,15-18H2,1H3,(H,26,29)
InChIKeyDPONPIOYOBVPOK-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.97
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 2332871) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID2332871
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O5S/c1-2-33-19-11-13-20(14-12-19)34(30,31)27-22-8-4-3-7-21(22)25(29)26-23-9-5-6-10-24(23)28-15-17-32-18-16-28/h3-14,27H,2,15-18H2,1H3,(H,26,29)
InChIKeyDPONPIOYOBVPOK-UHFFFAOYSA-N
XLogP3.97
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide (CID 2332871) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is DPONPIOYOBVPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-2-33-19-11-13-20(14-12-19)34(30,31)27-22-8-4-3-7-21(22)25(29)26-23-9-5-6-10-24(23)28-15-17-32-18-16-28/h3-14,27H,2,15-18H2,1H3,(H,26,29).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 481.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 2332871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).