2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide

C18H26N2O4S — CID 46294822

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCC1CCCO1
InChIInChI=1S/C18H26N2O4S/c21-18(19-14-16-5-4-12-24-16)13-15-8-10-20(11-9-15)25(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2,(H,19,21)
InChIKeyFKMMBHLQRHLATM-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.77
Rot. Bonds6

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46294822) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46294822
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCC1CCCO1
InChIInChI=1S/C18H26N2O4S/c21-18(19-14-16-5-4-12-24-16)13-15-8-10-20(11-9-15)25(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2,(H,19,21)
InChIKeyFKMMBHLQRHLATM-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138357
1-(benzenesulfonyl)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 133167045
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8692224
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 7964739
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 7918875
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8819159

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 46294822) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCC1CCCO1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FKMMBHLQRHLATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-18(19-14-16-5-4-12-24-16)13-15-8-10-20(11-9-15)25(22,23)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2,(H,19,21).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 366.48 g/mol, XLogP of 1.77, 6 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).