N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide

C17H27N3O4S — CID 133202386

IUPACN-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
SMILESCCN1CCN(C(=O)C(C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-5-19-10-12-20(13-11-19)17(21)14(2)24-16-8-6-15(7-9-16)18(3)25(4,22)23/h6-9,14H,5,10-13H2,1-4H3
InChIKeyNNTALDAKYYNKJA-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.01
Rot. Bonds6

About N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide

N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide (PubChem CID 133202386) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
PubChem CID133202386
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
SMILESCCN1CCN(C(=O)C(C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O4S/c1-5-19-10-12-20(13-11-19)17(21)14(2)24-16-8-6-15(7-9-16)18(3)25(4,22)23/h6-9,14H,5,10-13H2,1-4H3
InChIKeyNNTALDAKYYNKJA-UHFFFAOYSA-N
XLogP1.01
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
CID 95554661
N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
CID 56922571
2-(1,3-benzodioxol-5-yloxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45147871
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24674832
[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 39903145
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
CID 100521021
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-(4-fluorophenyl)methanesulfonamide
CID 53281423
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100754867
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148664

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide (CID 133202386) is N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide is CCN1CCN(C(=O)C(C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
The InChIKey is NNTALDAKYYNKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-19-10-12-20(13-11-19)17(21)14(2)24-16-8-6-15(7-9-16)18(3)25(4,22)23/h6-9,14H,5,10-13H2,1-4H3.
What are the key properties of N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 133202386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).