[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate

C22H26N2O7S — CID 42963866

IUPAC[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O7S/c1-15-4-5-16(2)18(12-15)22(26)31-14-21(25)23-17-6-7-19(29-3)20(13-17)32(27,28)24-8-10-30-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyAJVCMEIOYOLXIA-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.13
Rot. Bonds7

About [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 42963866) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID42963866
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O7S/c1-15-4-5-16(2)18(12-15)22(26)31-14-21(25)23-17-6-7-19(29-3)20(13-17)32(27,28)24-8-10-30-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyAJVCMEIOYOLXIA-UHFFFAOYSA-N
XLogP2.13
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 18776911
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 27985457
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-methylsulfanylbutanoate
CID 97095361
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4857492
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 42118835
2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 51924820

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 42963866) is [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate is COc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is AJVCMEIOYOLXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-15-4-5-16(2)18(12-15)22(26)31-14-21(25)23-17-6-7-19(29-3)20(13-17)32(27,28)24-8-10-30-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,25).
What are the key properties of [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 462.52 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 42963866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).