(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide

C24H33N3O5S — CID 92687172

IUPAC(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(CC)c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C24H33N3O5S/c1-4-27(21-10-14-22(31-3)15-11-21)33(29,30)26-16-6-7-20(18-26)24(28)25-17-19-8-12-23(13-9-19)32-5-2/h8-15,20H,4-7,16-18H2,1-3H3,(H,25,28)/t20-/m1/s1
InChIKeyXBKQGEWGMAKJTH-HXUWFJFHSA-N
MW475.61 g/mol
LogP3.19
Rot. Bonds10

About (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide

(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide (PubChem CID 92687172) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
PubChem CID92687172
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Name(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(CC)c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C24H33N3O5S/c1-4-27(21-10-14-22(31-3)15-11-21)33(29,30)26-16-6-7-20(18-26)24(28)25-17-19-8-12-23(13-9-19)32-5-2/h8-15,20H,4-7,16-18H2,1-3H3,(H,25,28)/t20-/m1/s1
InChIKeyXBKQGEWGMAKJTH-HXUWFJFHSA-N
XLogP3.19
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92687154
1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552953
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 93177419
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 124771785
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552950
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92687219
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93050150
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide (CID 92687172) is (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide is CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(CC)c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The InChIKey is XBKQGEWGMAKJTH-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-4-27(21-10-14-22(31-3)15-11-21)33(29,30)26-16-6-7-20(18-26)24(28)25-17-19-8-12-23(13-9-19)32-5-2/h8-15,20H,4-7,16-18H2,1-3H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide has a molecular weight of 475.61 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92687172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).