diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate

C23H26N2O8S — CID 26874310

IUPACdiethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(C(=O)OCC)c1
InChIInChI=1S/C23H26N2O8S/c1-3-32-22(27)17-12-18(23(28)33-4-2)14-19(13-17)24-21(26)16-6-5-7-20(15-16)34(29,30)25-8-10-31-11-9-25/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,24,26)
InChIKeyFAJRSTJPOSQVHW-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.31
Rot. Bonds8

About diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate

diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 26874310) has the molecular formula C23H26N2O8S and a molecular weight of 490.53 g/mol. Its IUPAC name is diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID26874310
Molecular FormulaC23H26N2O8S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Namediethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(C(=O)OCC)c1
InChIInChI=1S/C23H26N2O8S/c1-3-32-22(27)17-12-18(23(28)33-4-2)14-19(13-17)24-21(26)16-6-5-7-20(15-16)34(29,30)25-8-10-31-11-9-25/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,24,26)
InChIKeyFAJRSTJPOSQVHW-UHFFFAOYSA-N
XLogP2.31
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
ethyl 4-[[3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoyl]amino]benzoate
CID 4832026
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
ethyl 4-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]benzoate
CID 19680395
N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
[2-(diethylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 7699367

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate (CID 26874310) is diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is FAJRSTJPOSQVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8S/c1-3-32-22(27)17-12-18(23(28)33-4-2)14-19(13-17)24-21(26)16-6-5-7-20(15-16)34(29,30)25-8-10-31-11-9-25/h5-7,12-15H,3-4,8-11H2,1-2H3,(H,24,26).
What are the key properties of diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 490.53 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26874310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).