(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide

C22H28N2O4S — CID 40595931

IUPAC(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1
InChIInChI=1S/C22H28N2O4S/c1-15-10-11-20(28-4)21(13-15)29(26,27)24-12-6-8-18(14-24)22(25)23-19-9-5-7-16(2)17(19)3/h5,7,9-11,13,18H,6,8,12,14H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyRYAHWESVTMPSBW-GOSISDBHSA-N
MW416.54 g/mol
LogP3.66
Rot. Bonds5

About (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 40595931) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID40595931
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1
InChIInChI=1S/C22H28N2O4S/c1-15-10-11-20(28-4)21(13-15)29(26,27)24-12-6-8-18(14-24)22(25)23-19-9-5-7-16(2)17(19)3/h5,7,9-11,13,18H,6,8,12,14H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyRYAHWESVTMPSBW-GOSISDBHSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2,6-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397204
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 28550082
(3S)-N-(2,4-difluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126397123
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302815
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
(3R)-N-cyclohexyl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302754
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 3899735
(3S)-N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40975755
N-butan-2-yl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5108976

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 40595931) is (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2C)C1.
What is the InChIKey of (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is RYAHWESVTMPSBW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15-10-11-20(28-4)21(13-15)29(26,27)24-12-6-8-18(14-24)22(25)23-19-9-5-7-16(2)17(19)3/h5,7,9-11,13,18H,6,8,12,14H2,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,3-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 40595931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).