[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C23H24N2O7S — CID 16502994

IUPAC[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H24N2O7S/c1-30-20-10-9-17(33(28,29)25-11-5-2-6-12-25)14-18(20)24-22(26)15-31-23(27)21-13-16-7-3-4-8-19(16)32-21/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,26)
InChIKeyFASJWUHORMVEIP-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.41
Rot. Bonds7

About [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 16502994) has the molecular formula C23H24N2O7S and a molecular weight of 472.52 g/mol. Its IUPAC name is [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID16502994
Molecular FormulaC23H24N2O7S
Molecular Weight472.52 g/mol
Exact Mass472.13
IUPAC Name[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H24N2O7S/c1-30-20-10-9-17(33(28,29)25-11-5-2-6-12-25)14-18(20)24-22(26)15-31-23(27)21-13-16-7-3-4-8-19(16)32-21/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,26)
InChIKeyFASJWUHORMVEIP-UHFFFAOYSA-N
XLogP3.41
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4799236
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717539
[2-(2-methoxyanilino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599302
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 16522329
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4856785
trans-[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777147
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557205

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 16502994) is [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1cc2ccccc2o1.
What is the InChIKey of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is FASJWUHORMVEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S/c1-30-20-10-9-17(33(28,29)25-11-5-2-6-12-25)14-18(20)24-22(26)15-31-23(27)21-13-16-7-3-4-8-19(16)32-21/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3,(H,24,26).
What are the key properties of [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 472.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 16502994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).