(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C22H28N2O4S — CID 41302820

IUPAC(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C22H28N2O4S/c1-17-11-12-20(28-3)21(14-17)29(26,27)24-13-7-10-19(16-24)22(25)23(2)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyKGSXTGSSYKJYFX-LJQANCHMSA-N
MW416.54 g/mol
LogP3.06
Rot. Bonds6

About (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 41302820) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID41302820
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C22H28N2O4S/c1-17-11-12-20(28-3)21(14-17)29(26,27)24-13-7-10-19(16-24)22(25)23(2)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyKGSXTGSSYKJYFX-LJQANCHMSA-N
XLogP3.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 133159737
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-phenylpiperidine-3-carboxamide
CID 133159763
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 126392266
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
(3S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125049667
(3R)-N,N-dibenzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780190
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 42244156
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 126397995
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800732
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 41302820) is (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is KGSXTGSSYKJYFX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-11-12-20(28-3)21(14-17)29(26,27)24-13-7-10-19(16-24)22(25)23(2)15-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19H,7,10,13,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 41302820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).