dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate

C22H24N2O8S — CID 28580238

IUPACdimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H24N2O8S/c1-30-21(26)17-7-8-18(22(27)31-2)19(13-17)23-20(25)16-5-3-15(4-6-16)14-33(28,29)24-9-11-32-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyFTYGOPJRZXBTGM-UHFFFAOYSA-N
MW476.51 g/mol
LogP1.67
Rot. Bonds7

About dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate (PubChem CID 28580238) has the molecular formula C22H24N2O8S and a molecular weight of 476.51 g/mol. Its IUPAC name is dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
PubChem CID28580238
Molecular FormulaC22H24N2O8S
Molecular Weight476.51 g/mol
Exact Mass476.13
IUPAC Namedimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C22H24N2O8S/c1-30-21(26)17-7-8-18(22(27)31-2)19(13-17)23-20(25)16-5-3-15(4-6-16)14-33(28,29)24-9-11-32-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyFTYGOPJRZXBTGM-UHFFFAOYSA-N
XLogP1.67
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
methyl 3-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28631351
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate
CID 110296154
dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108517524
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46764240

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate (CID 28580238) is dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is FTYGOPJRZXBTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O8S/c1-30-21(26)17-7-8-18(22(27)31-2)19(13-17)23-20(25)16-5-3-15(4-6-16)14-33(28,29)24-9-11-32-12-10-24/h3-8,13H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 476.51 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 28580238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).