1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

C24H28N2O4S — CID 71737619

IUPAC1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C24H28N2O4S/c1-3-26(18(2)19-7-5-4-6-8-19)24(27)20-11-14-25(15-12-20)31(28,29)22-9-10-23-21(17-22)13-16-30-23/h4-10,13,16-18,20H,3,11-12,14-15H2,1-2H3/t18-/m1/s1
InChIKeyOITNVTIEKKTKTP-GOSISDBHSA-N
MW440.57 g/mol
LogP4.44
Rot. Bonds6

About 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 71737619) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID71737619
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C24H28N2O4S/c1-3-26(18(2)19-7-5-4-6-8-19)24(27)20-11-14-25(15-12-20)31(28,29)22-9-10-23-21(17-22)13-16-30-23/h4-10,13,16-18,20H,3,11-12,14-15H2,1-2H3/t18-/m1/s1
InChIKeyOITNVTIEKKTKTP-GOSISDBHSA-N
XLogP4.44
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 71737619) is 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1.
What is the InChIKey of 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is OITNVTIEKKTKTP-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-3-26(18(2)19-7-5-4-6-8-19)24(27)20-11-14-25(15-12-20)31(28,29)22-9-10-23-21(17-22)13-16-30-23/h4-10,13,16-18,20H,3,11-12,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylsulfonyl)-N-ethyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).