4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

C18H28N2O4S — CID 110347613

IUPAC4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C18H28N2O4S/c1-5-24-16-11-14(3)17(12-13(16)2)25(22,23)19-15(4)18(21)20-9-7-6-8-10-20/h11-12,15,19H,5-10H2,1-4H3/t15-/m0/s1
InChIKeyYKENXTYUYSVTGU-HNNXBMFYSA-N
MW368.50 g/mol
LogP2.38
Rot. Bonds6

About 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide (PubChem CID 110347613) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
PubChem CID110347613
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C18H28N2O4S/c1-5-24-16-11-14(3)17(12-13(16)2)25(22,23)19-15(4)18(21)20-9-7-6-8-10-20/h11-12,15,19H,5-10H2,1-4H3/t15-/m0/s1
InChIKeyYKENXTYUYSVTGU-HNNXBMFYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851317
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide (CID 110347613) is 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is YKENXTYUYSVTGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-5-24-16-11-14(3)17(12-13(16)2)25(22,23)19-15(4)18(21)20-9-7-6-8-10-20/h11-12,15,19H,5-10H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110347613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).