N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C17H22ClN3O5S — CID 3448197

IUPACN-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCCOC3=O)CC2)cc1Cl
InChIInChI=1S/C17H22ClN3O5S/c1-12(22)19-16-4-3-14(11-15(16)18)27(24,25)20-8-5-13(6-9-20)21-7-2-10-26-17(21)23/h3-4,11,13H,2,5-10H2,1H3,(H,19,22)
InChIKeyWHXGWQYCLOAYDA-UHFFFAOYSA-N
MW415.90 g/mol
LogP2.29
Rot. Bonds4

About N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 3448197) has the molecular formula C17H22ClN3O5S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID3448197
Molecular FormulaC17H22ClN3O5S
Molecular Weight415.90 g/mol
Exact Mass415.10
IUPAC NameN-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCCOC3=O)CC2)cc1Cl
InChIInChI=1S/C17H22ClN3O5S/c1-12(22)19-16-4-3-14(11-15(16)18)27(24,25)20-8-5-13(6-9-20)21-7-2-10-26-17(21)23/h3-4,11,13H,2,5-10H2,1H3,(H,19,22)
InChIKeyWHXGWQYCLOAYDA-UHFFFAOYSA-N
XLogP2.29
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 3748432
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710728
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
CID 78842967
N-[2-chloro-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 74226134
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120710147
ethyl 1-(4-acetamido-3-chlorophenyl)sulfonylpiperidine-2-carboxylate
CID 3673261
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156792
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086
N-[2-chloro-4-[(2R)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95116760

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 3448197) is N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCCOC3=O)CC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is WHXGWQYCLOAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O5S/c1-12(22)19-16-4-3-14(11-15(16)18)27(24,25)20-8-5-13(6-9-20)21-7-2-10-26-17(21)23/h3-4,11,13H,2,5-10H2,1H3,(H,19,22).
What are the key properties of N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 415.90 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 3448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).