N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide

C21H27N3O4S — CID 21173908

IUPACN-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
SMILESCN(Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H27N3O4S/c1-22(29(2,26)27)16-18-8-10-20(11-9-18)28-17-21(25)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3
InChIKeyMYVIIJNREOHDPY-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.81
Rot. Bonds7

About N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide

N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide (PubChem CID 21173908) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
PubChem CID21173908
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
SMILESCN(Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H27N3O4S/c1-22(29(2,26)27)16-18-8-10-20(11-9-18)28-17-21(25)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3
InChIKeyMYVIIJNREOHDPY-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21367109
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
CID 2215551
ethyl 1-[2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 21368070
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
4-[2-(azepan-1-yl)-2-oxoethoxy]-N-benzyl-N-methylbenzenesulfonamide
CID 2214283
N-benzyl-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 3667650
N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21368049
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129117
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 41140882

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide (CID 21173908) is N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide is CN(Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide?
The InChIKey is MYVIIJNREOHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-22(29(2,26)27)16-18-8-10-20(11-9-18)28-17-21(25)24-14-12-23(13-15-24)19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3.
What are the key properties of N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide?
N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 21173908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).