2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide

C18H28N2O3S — CID 11912071

IUPAC2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC
InChIInChI=1S/C18H28N2O3S/c1-3-11-19-18(21)13-16-10-12-20(14-15(16)4-2)24(22,23)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyDFVLTSKUBDWYEV-HOTGVXAUSA-N
MW352.50 g/mol
LogP2.64
Rot. Bonds7

About 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide

2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide (PubChem CID 11912071) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide
PubChem CID11912071
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC
InChIInChI=1S/C18H28N2O3S/c1-3-11-19-18(21)13-16-10-12-20(14-15(16)4-2)24(22,23)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyDFVLTSKUBDWYEV-HOTGVXAUSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 73138946
2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40780267
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-ethyl-3-propylguanidine
CID 111228465
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
methyl 1-[2-[(3S,4S)-3-ethyl-1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 162813466
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
CID 110353175

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide?
The IUPAC name of 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide (CID 11912071) is 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide is CCCNC(=O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1CC.
What is the InChIKey of 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide?
The InChIKey is DFVLTSKUBDWYEV-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-11-19-18(21)13-16-10-12-20(14-15(16)4-2)24(22,23)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide?
2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide has a molecular weight of 352.50 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide is sourced from PubChem (CID 11912071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).