N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C26H29N3O8S2 — CID 4850078

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C26H29N3O8S2/c1-28(23-6-4-5-7-25(23)36-3)38(31,32)20-10-8-19(9-11-20)26(30)27-22-18-21(12-13-24(22)35-2)39(33,34)29-14-16-37-17-15-29/h4-13,18H,14-17H2,1-3H3,(H,27,30)
InChIKeySHQWGIWGQGZRLS-UHFFFAOYSA-N
MW575.67 g/mol
LogP2.80
Rot. Bonds9

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 4850078) has the molecular formula C26H29N3O8S2 and a molecular weight of 575.67 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID4850078
Molecular FormulaC26H29N3O8S2
Molecular Weight575.67 g/mol
Exact Mass575.14
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C26H29N3O8S2/c1-28(23-6-4-5-7-25(23)36-3)38(31,32)20-10-8-19(9-11-20)26(30)27-22-18-21(12-13-24(22)35-2)39(33,34)29-14-16-37-17-15-29/h4-13,18H,14-17H2,1-3H3,(H,27,30)
InChIKeySHQWGIWGQGZRLS-UHFFFAOYSA-N
XLogP2.80
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 4850078) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is SHQWGIWGQGZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O8S2/c1-28(23-6-4-5-7-25(23)36-3)38(31,32)20-10-8-19(9-11-20)26(30)27-22-18-21(12-13-24(22)35-2)39(33,34)29-14-16-37-17-15-29/h4-13,18H,14-17H2,1-3H3,(H,27,30).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 575.67 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 4850078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).