[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate

C22H26N2O6S — CID 18776911

IUPAC[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O6S/c1-16-8-4-5-9-18(16)22(26)30-15-21(25)23-17-10-11-19(29-2)20(14-17)31(27,28)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyZJMBFYAJLLSGHR-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.97
Rot. Bonds7

About [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate (PubChem CID 18776911) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
PubChem CID18776911
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O6S/c1-16-8-4-5-9-18(16)22(26)30-15-21(25)23-17-10-11-19(29-2)20(14-17)31(27,28)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,25)
InChIKeyZJMBFYAJLLSGHR-UHFFFAOYSA-N
XLogP2.97
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 42118835
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18208868
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 41379433
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 42964549
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 42980856
[2-(3-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 55305639

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate (CID 18776911) is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate is COc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate?
The InChIKey is ZJMBFYAJLLSGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-16-8-4-5-9-18(16)22(26)30-15-21(25)23-17-10-11-19(29-2)20(14-17)31(27,28)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate?
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate has a molecular weight of 446.53 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate is sourced from PubChem (CID 18776911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).