N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide

C19H28N2O5S — CID 24529762

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)CC)CC1)OC(C)C2
InChIInChI=1S/C19H28N2O5S/c1-4-25-18-11-15-10-13(3)26-17(15)12-16(18)20-19(22)14-6-8-21(9-7-14)27(23,24)5-2/h11-14H,4-10H2,1-3H3,(H,20,22)
InChIKeySNPCIVFIUGNASP-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.41
Rot. Bonds6

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 24529762) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID24529762
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)CC)CC1)OC(C)C2
InChIInChI=1S/C19H28N2O5S/c1-4-25-18-11-15-10-13(3)26-17(15)12-16(18)20-19(22)14-6-8-21(9-7-14)27(23,24)5-2/h11-14H,4-10H2,1-3H3,(H,20,22)
InChIKeySNPCIVFIUGNASP-UHFFFAOYSA-N
XLogP2.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide
CID 103794323
(3R)-3-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 39978753
3-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42895657
1-benzyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine-3-carboxamide
CID 60579414
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
5-cyclopropyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazole-3-carboxamide
CID 24668257
(2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide
CID 120785022
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26202057
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(4-hydroxycyclohexyl)urea
CID 95155893
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-nitrobenzamide
CID 9451778

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 24529762) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide is CCOc1cc2c(cc1NC(=O)C1CCN(S(=O)(=O)CC)CC1)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is SNPCIVFIUGNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-4-25-18-11-15-10-13(3)26-17(15)12-16(18)20-19(22)14-6-8-21(9-7-14)27(23,24)5-2/h11-14H,4-10H2,1-3H3,(H,20,22).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24529762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).