(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

C26H34N4O4S — CID 92687219

IUPAC(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C26H34N4O4S/c1-3-30(22-11-13-23(14-12-22)34-4-2)35(32,33)29-17-7-8-21(19-29)26(31)27-16-15-20-18-28-25-10-6-5-9-24(20)25/h5-6,9-14,18,21,28H,3-4,7-8,15-17,19H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeyNLJGQMOCGBWKRO-OAQYLSRUSA-N
MW498.65 g/mol
LogP3.71
Rot. Bonds10

About (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 92687219) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID92687219
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C26H34N4O4S/c1-3-30(22-11-13-23(14-12-22)34-4-2)35(32,33)29-17-7-8-21(19-29)26(31)27-16-15-20-18-28-25-10-6-5-9-24(20)25/h5-6,9-14,18,21,28H,3-4,7-8,15-17,19H2,1-2H3,(H,27,31)/t21-/m1/s1
InChIKeyNLJGQMOCGBWKRO-OAQYLSRUSA-N
XLogP3.71
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552766
(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93050150
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92687154
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 93177419
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 92687218
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552950
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 124771785
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide (CID 92687219) is (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide is CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is NLJGQMOCGBWKRO-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-3-30(22-11-13-23(14-12-22)34-4-2)35(32,33)29-17-7-8-21(19-29)26(31)27-16-15-20-18-28-25-10-6-5-9-24(20)25/h5-6,9-14,18,21,28H,3-4,7-8,15-17,19H2,1-2H3,(H,27,31)/t21-/m1/s1.
What are the key properties of (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92687219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).