N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

C16H24N2O5S — CID 3894563

IUPACN-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCO)C2)cc1C
InChIInChI=1S/C16H24N2O5S/c1-12-10-14(5-6-15(12)23-2)24(21,22)18-8-3-4-13(11-18)16(20)17-7-9-19/h5-6,10,13,19H,3-4,7-9,11H2,1-2H3,(H,17,20)
InChIKeyGGALHXKQQXKKCW-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.51
Rot. Bonds6

About N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3894563) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3894563
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCO)C2)cc1C
InChIInChI=1S/C16H24N2O5S/c1-12-10-14(5-6-15(12)23-2)24(21,22)18-8-3-4-13(11-18)16(20)17-7-9-19/h5-6,10,13,19H,3-4,7-9,11H2,1-2H3,(H,17,20)
InChIKeyGGALHXKQQXKKCW-UHFFFAOYSA-N
XLogP0.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
(3S)-N-(2-methoxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302550
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 40633716
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3891100
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 41302670
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 7453410
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 7457785
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
(3S)-N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40975755
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872836
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874869
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 3894563) is N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCO)C2)cc1C.
What is the InChIKey of N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GGALHXKQQXKKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12-10-14(5-6-15(12)23-2)24(21,22)18-8-3-4-13(11-18)16(20)17-7-9-19/h5-6,10,13,19H,3-4,7-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3894563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).