(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide

C18H28N2O3S — CID 94782531

IUPAC(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-15-8-10-16(11-9-15)14(3)19-18(21)17-7-6-12-20(13-17)24(22,23)5-2/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyPOBDTSICJCHUOX-YOEHRIQHSA-N
MW352.50 g/mol
LogP2.49
Rot. Bonds6

About (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide

(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 94782531) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID94782531
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1
InChIInChI=1S/C18H28N2O3S/c1-4-15-8-10-16(11-9-15)14(3)19-18(21)17-7-6-12-20(13-17)24(22,23)5-2/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyPOBDTSICJCHUOX-YOEHRIQHSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125049400
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-3-carboxamide
CID 100678013
(3R)-1-ethylsulfonyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]piperidine-3-carboxamide
CID 95880424
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133185942
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
(3R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956068
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
(3S)-N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073136
(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 92674116
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 28635945
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 28635944

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 94782531) is (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1.
What is the InChIKey of (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is POBDTSICJCHUOX-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-15-8-10-16(11-9-15)14(3)19-18(21)17-7-6-12-20(13-17)24(22,23)5-2/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,21)/t14-,17-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide?
(3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94782531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).