N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide

C15H21N3O5S — CID 55564355

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H21N3O5S/c1-24(21,22)18-9-3-2-4-13(18)15(20)17-11-5-7-12(8-6-11)23-10-14(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyQQVMSLLRTWQTRO-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.30
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 55564355) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID55564355
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H21N3O5S/c1-24(21,22)18-9-3-2-4-13(18)15(20)17-11-5-7-12(8-6-11)23-10-14(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyQQVMSLLRTWQTRO-UHFFFAOYSA-N
XLogP0.30
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429298
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55784405
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
1-(4-acetylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-2-carboxamide
CID 55333838
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 55564355) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is QQVMSLLRTWQTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-24(21,22)18-9-3-2-4-13(18)15(20)17-11-5-7-12(8-6-11)23-10-14(16)19/h5-8,13H,2-4,9-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).