3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

C24H32N2O7S — CID 4849315

IUPAC3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc(OCC)c1OCC
InChIInChI=1S/C24H32N2O7S/c1-5-31-20-14-18(15-21(32-6-2)23(20)33-7-3)24(27)25-19-9-8-17(4)22(16-19)34(28,29)26-10-12-30-13-11-26/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,25,27)
InChIKeyJGLCHXVFTKXWEE-UHFFFAOYSA-N
MW492.59 g/mol
LogP3.46
Rot. Bonds10

About 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4849315) has the molecular formula C24H32N2O7S and a molecular weight of 492.59 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4849315
Molecular FormulaC24H32N2O7S
Molecular Weight492.59 g/mol
Exact Mass492.19
IUPAC Name3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc(OCC)c1OCC
InChIInChI=1S/C24H32N2O7S/c1-5-31-20-14-18(15-21(32-6-2)23(20)33-7-3)24(27)25-19-9-8-17(4)22(16-19)34(28,29)26-10-12-30-13-11-26/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,25,27)
InChIKeyJGLCHXVFTKXWEE-UHFFFAOYSA-N
XLogP3.46
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 4849315) is 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is JGLCHXVFTKXWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7S/c1-5-31-20-14-18(15-21(32-6-2)23(20)33-7-3)24(27)25-19-9-8-17(4)22(16-19)34(28,29)26-10-12-30-13-11-26/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,25,27).
What are the key properties of 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 492.59 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4849315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).