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

C23H31N3O5S — CID 92687154

IUPAC(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC)cc2)C1
InChIInChI=1S/C23H31N3O5S/c1-4-26(20-9-13-22(31-3)14-10-20)32(28,29)25-15-5-6-19(17-25)23(27)24-16-18-7-11-21(30-2)12-8-18/h7-14,19H,4-6,15-17H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyWCIPDXBKIFHQNA-LJQANCHMSA-N
MW461.58 g/mol
LogP2.80
Rot. Bonds9

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

(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92687154) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID92687154
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC)cc2)C1
InChIInChI=1S/C23H31N3O5S/c1-4-26(20-9-13-22(31-3)14-10-20)32(28,29)25-15-5-6-19(17-25)23(27)24-16-18-7-11-21(30-2)12-8-18/h7-14,19H,4-6,15-17H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyWCIPDXBKIFHQNA-LJQANCHMSA-N
XLogP2.80
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
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
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)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 92687154) is (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(OC)cc2)C1.
What is the InChIKey of (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WCIPDXBKIFHQNA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-4-26(20-9-13-22(31-3)14-10-20)32(28,29)25-15-5-6-19(17-25)23(27)24-16-18-7-11-21(30-2)12-8-18/h7-14,19H,4-6,15-17H2,1-3H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92687154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).