[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

C26H27NO6S — CID 39751070

IUPAC[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
SMILESCc1c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)oc2ccccc12
InChIInChI=1S/C26H27NO6S/c1-17-22-7-2-3-8-24(22)33-25(17)23(28)16-32-26(29)19-11-13-27(14-12-19)34(30,31)21-10-9-18-5-4-6-20(18)15-21/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3
InChIKeyLKLSHJJGBXVAHV-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.06
Rot. Bonds6

About [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate (PubChem CID 39751070) has the molecular formula C26H27NO6S and a molecular weight of 481.57 g/mol. Its IUPAC name is [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
PubChem CID39751070
Molecular FormulaC26H27NO6S
Molecular Weight481.57 g/mol
Exact Mass481.16
IUPAC Name[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
SMILESCc1c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)oc2ccccc12
InChIInChI=1S/C26H27NO6S/c1-17-22-7-2-3-8-24(22)33-25(17)23(28)16-32-26(29)19-11-13-27(14-12-19)34(30,31)21-10-9-18-5-4-6-20(18)15-21/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3
InChIKeyLKLSHJJGBXVAHV-UHFFFAOYSA-N
XLogP4.06
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809002
(2-chlorophenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809181
2-chloroprop-2-enyl 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate
CID 55459134
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809036
ethyl (3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-3-carboxylate
CID 167880370
(3,5-dimethylphenyl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 18274396
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049313
(4-chlorophenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809179
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxylate
CID 55357629
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 55362109
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate?
The IUPAC name of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate (CID 39751070) is [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate is Cc1c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)oc2ccccc12.
What is the InChIKey of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate?
The InChIKey is LKLSHJJGBXVAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6S/c1-17-22-7-2-3-8-24(22)33-25(17)23(28)16-32-26(29)19-11-13-27(14-12-19)34(30,31)21-10-9-18-5-4-6-20(18)15-21/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3.
What are the key properties of [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate?
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate has a molecular weight of 481.57 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 39751070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).