(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

C18H28N2O5S — CID 51956622

IUPAC(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCOc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-12-10-16(24-3)17(25-4)11-14(12)13(2)19-18(21)15-8-6-7-9-20(15)26(5,22)23/h10-11,13,15H,6-9H2,1-5H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyWSLAKMFOCPDZKI-DZGCQCFKSA-N
MW384.50 g/mol
LogP2.00
Rot. Bonds6

About (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 51956622) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID51956622
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCOc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H28N2O5S/c1-12-10-16(24-3)17(25-4)11-14(12)13(2)19-18(21)15-8-6-7-9-20(15)26(5,22)23/h10-11,13,15H,6-9H2,1-5H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyWSLAKMFOCPDZKI-DZGCQCFKSA-N
XLogP2.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86920986
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46485568
(3S)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956611
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
CID 43423217
cis-(1S,2R)-2-[[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125118630
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404720
(3S)-1-(dimethylsulfamoyl)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 125086267
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 51956622) is (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1OC.
What is the InChIKey of (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is WSLAKMFOCPDZKI-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-12-10-16(24-3)17(25-4)11-14(12)13(2)19-18(21)15-8-6-7-9-20(15)26(5,22)23/h10-11,13,15H,6-9H2,1-5H3,(H,19,21)/t13-,15+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
(2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 51956622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).