[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

C23H22N2O8S — CID 4081477

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H22N2O8S/c1-15-6-7-16(34(29,30)25-8-10-31-11-9-25)12-18(15)24-22(27)14-32-23(28)21-13-19(26)17-4-2-3-5-20(17)33-21/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)
InChIKeyXFCWKAASNDGGRC-UHFFFAOYSA-N
MW486.50 g/mol
LogP1.92
Rot. Bonds6

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 4081477) has the molecular formula C23H22N2O8S and a molecular weight of 486.50 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID4081477
Molecular FormulaC23H22N2O8S
Molecular Weight486.50 g/mol
Exact Mass486.11
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H22N2O8S/c1-15-6-7-16(34(29,30)25-8-10-31-11-9-25)12-18(15)24-22(27)14-32-23(28)21-13-19(26)17-4-2-3-5-20(17)33-21/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)
InChIKeyXFCWKAASNDGGRC-UHFFFAOYSA-N
XLogP1.92
TPSA132.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4H-1-Benzopyran-2-carboxanilide, 4-oxo-4'-sulfamoyl-
CID 19703
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 4092887
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4192758
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5798111
2-(2-benzylphenoxy)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16313859
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
7-methyl-4-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]-4H-chromene-2-carboxamide
CID 16013517
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
2-methoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1085591
6,8-dimethyl-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
CID 1872643

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 4081477) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is XFCWKAASNDGGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O8S/c1-15-6-7-16(34(29,30)25-8-10-31-11-9-25)12-18(15)24-22(27)14-32-23(28)21-13-19(26)17-4-2-3-5-20(17)33-21/h2-7,12-13H,8-11,14H2,1H3,(H,24,27).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 486.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 4081477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).