(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide

C24H31N3O6S — CID 92687218

IUPAC(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1
InChIInChI=1S/C24H31N3O6S/c1-3-27(20-8-10-21(11-9-20)31-4-2)34(29,30)26-13-5-6-18(17-26)24(28)25-19-7-12-22-23(16-19)33-15-14-32-22/h7-12,16,18H,3-6,13-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyOOJFNINYTAHVKD-GOSISDBHSA-N
MW489.59 g/mol
LogP3.28
Rot. Bonds8

About (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide (PubChem CID 92687218) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
PubChem CID92687218
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1
InChIInChI=1S/C24H31N3O6S/c1-3-27(20-8-10-21(11-9-20)31-4-2)34(29,30)26-13-5-6-18(17-26)24(28)25-19-7-12-22-23(16-19)33-15-14-32-22/h7-12,16,18H,3-6,13-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyOOJFNINYTAHVKD-GOSISDBHSA-N
XLogP3.28
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93177425
1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93050150
(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
(3R)-N-(1,3-benzodioxol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447151
ethyl 4-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 92502025
(3R)-1-benzylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 1444987
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 27151827
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641487
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642225
ethyl (3R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)piperidine-1-carboxylate
CID 30806096
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2230257

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide (CID 92687218) is (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide is CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1.
What is the InChIKey of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
The InChIKey is OOJFNINYTAHVKD-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-3-27(20-8-10-21(11-9-20)31-4-2)34(29,30)26-13-5-6-18(17-26)24(28)25-19-7-12-22-23(16-19)33-15-14-32-22/h7-12,16,18H,3-6,13-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92687218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).