N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide

C17H27N3O4S — CID 21367109

IUPACN-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-19-9-11-20(12-10-19)17(21)14-24-16-7-5-15(6-8-16)13-18(2)25(3,22)23/h5-8H,4,9-14H2,1-3H3
InChIKeyKXFOAMSDZFZBCS-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.62
Rot. Bonds7

About N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide

N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide (PubChem CID 21367109) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
PubChem CID21367109
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-4-19-9-11-20(12-10-19)17(21)14-24-16-7-5-15(6-8-16)13-18(2)25(3,22)23/h5-8H,4,9-14H2,1-3H3
InChIKeyKXFOAMSDZFZBCS-UHFFFAOYSA-N
XLogP0.62
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
CID 21173908
ethyl 1-[2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 21368070
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129117
N-benzyl-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 3667650
4-ethoxy-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 3163384
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-N-methylbenzenesulfonamide
CID 2214283
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-phenoxy-1-[4-[2-(4-propylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108535883
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide (CID 21367109) is N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide is CCN1CCN(C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
The InChIKey is KXFOAMSDZFZBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-19-9-11-20(12-10-19)17(21)14-24-16-7-5-15(6-8-16)13-18(2)25(3,22)23/h5-8H,4,9-14H2,1-3H3.
What are the key properties of N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 21367109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).