2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide

C20H33N3O3S — CID 110353175

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
SMILESCCN(CC)C(C)CNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-4-22(5-2)17(3)16-21-20(24)15-18-11-13-23(14-12-18)27(25,26)19-9-7-6-8-10-19/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,21,24)
InChIKeyOLLLRRSPPHSZES-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.32
Rot. Bonds9

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide (PubChem CID 110353175) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
PubChem CID110353175
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
SMILESCCN(CC)C(C)CNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H33N3O3S/c1-4-22(5-2)17(3)16-21-20(24)15-18-11-13-23(14-12-18)27(25,26)19-9-7-6-8-10-19/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,21,24)
InChIKeyOLLLRRSPPHSZES-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-bromophenyl)methyl]acetamide
CID 46294835
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46294839
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
N-[(2S)-butan-2-yl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 92866818
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide (CID 110353175) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide is CCN(CC)C(C)CNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide?
The InChIKey is OLLLRRSPPHSZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-22(5-2)17(3)16-21-20(24)15-18-11-13-23(14-12-18)27(25,26)19-9-7-6-8-10-19/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,21,24).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide has a molecular weight of 395.57 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide is sourced from PubChem (CID 110353175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).