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

C22H26N2O7S — CID 42118835

IUPAC[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O7S/c1-15-7-6-8-17(21(15)26)22(27)31-14-20(25)23-16-9-10-18(30-2)19(13-16)32(28,29)24-11-4-3-5-12-24/h6-10,13,26H,3-5,11-12,14H2,1-2H3,(H,23,25)
InChIKeyVCKHUUKTWZJRQN-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.68
Rot. Bonds7

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

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 42118835) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
PubChem CID42118835
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Name[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O7S/c1-15-7-6-8-17(21(15)26)22(27)31-14-20(25)23-16-9-10-18(30-2)19(13-16)32(28,29)24-11-4-3-5-12-24/h6-10,13,26H,3-5,11-12,14H2,1-2H3,(H,23,25)
InChIKeyVCKHUUKTWZJRQN-UHFFFAOYSA-N
XLogP2.68
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 18776911
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578358
[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-(3-methoxyanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 55305639
[2-(3-acetylanilino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 4675674
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
[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

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate (CID 42118835) is [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is COc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is VCKHUUKTWZJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-15-7-6-8-17(21(15)26)22(27)31-14-20(25)23-16-9-10-18(30-2)19(13-16)32(28,29)24-11-4-3-5-12-24/h6-10,13,26H,3-5,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate?
[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 462.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 42118835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).