N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide

C15H21N3O5S — CID 31675809

IUPACN-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H21N3O5S/c1-12(19)16-13-5-3-4-6-14(13)23-11-15(20)17-7-9-18(10-8-17)24(2,21)22/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyVTKVVAWTRQIZDA-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.13
Rot. Bonds5

About N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide

N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 31675809) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID31675809
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H21N3O5S/c1-12(19)16-13-5-3-4-6-14(13)23-11-15(20)17-7-9-18(10-8-17)24(2,21)22/h3-6H,7-11H2,1-2H3,(H,16,19)
InChIKeyVTKVVAWTRQIZDA-UHFFFAOYSA-N
XLogP0.13
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-naphthalen-1-yloxyethanone
CID 39977224
N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867396
N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 9017964
2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110205754
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 55454235
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
methyl 5-chloro-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoate
CID 47084546
2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 97430729
2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31686501
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
2-(5-fluoro-2-nitrophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 27914613

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide (CID 31675809) is N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is VTKVVAWTRQIZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-12(19)16-13-5-3-4-6-14(13)23-11-15(20)17-7-9-18(10-8-17)24(2,21)22/h3-6H,7-11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide?
N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 31675809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).