dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate

C22H24N2O9S — CID 26737021

IUPACdimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C22H24N2O9S/c1-30-19-5-4-17(34(28,29)24-6-8-33-9-7-24)13-18(19)20(25)23-16-11-14(21(26)31-2)10-15(12-16)22(27)32-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,25)
InChIKeyQVAVPQNEWLQTKG-UHFFFAOYSA-N
MW492.51 g/mol
LogP1.54
Rot. Bonds7

About dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 26737021) has the molecular formula C22H24N2O9S and a molecular weight of 492.51 g/mol. Its IUPAC name is dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID26737021
Molecular FormulaC22H24N2O9S
Molecular Weight492.51 g/mol
Exact Mass492.12
IUPAC Namedimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C22H24N2O9S/c1-30-19-5-4-17(34(28,29)24-6-8-33-9-7-24)13-18(19)20(25)23-16-11-14(21(26)31-2)10-15(12-16)22(27)32-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,25)
InChIKeyQVAVPQNEWLQTKG-UHFFFAOYSA-N
XLogP1.54
TPSA137.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 24659342
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 46764473
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561045
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
2-methoxy-5-morpholin-4-ylsulfonyl-N-(4-phenylmethoxyphenyl)benzamide
CID 27843834
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate (CID 26737021) is dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is QVAVPQNEWLQTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O9S/c1-30-19-5-4-17(34(28,29)24-6-8-33-9-7-24)13-18(19)20(25)23-16-11-14(21(26)31-2)10-15(12-16)22(27)32-3/h4-5,10-13H,6-9H2,1-3H3,(H,23,25).
What are the key properties of dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 492.51 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 26737021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).