2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide

C16H25N3O3S — CID 51099652

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCC1CCCCN1S(=O)(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-14-7-5-6-12-19(14)23(21,22)18-13-16(20)17-11-10-15-8-3-2-4-9-15/h2-4,8-9,14,18H,5-7,10-13H2,1H3,(H,17,20)
InChIKeyGNWGSELRXPAPSB-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.05
Rot. Bonds7

About 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide

2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 51099652) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID51099652
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCC1CCCCN1S(=O)(=O)NCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-14-7-5-6-12-19(14)23(21,22)18-13-16(20)17-11-10-15-8-3-2-4-9-15/h2-4,8-9,14,18H,5-7,10-13H2,1H3,(H,17,20)
InChIKeyGNWGSELRXPAPSB-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247
(2S)-N-[2-[(S)-benzylsulfinyl]ethyl]-2-methylpiperidine-1-sulfonamide
CID 95322188
N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
CID 55682031
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 166197517
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
(2R)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35308806
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide (CID 51099652) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide is CC1CCCCN1S(=O)(=O)NCC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is GNWGSELRXPAPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14-7-5-6-12-19(14)23(21,22)18-13-16(20)17-11-10-15-8-3-2-4-9-15/h2-4,8-9,14,18H,5-7,10-13H2,1H3,(H,17,20).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide?
2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)sulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 51099652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).