N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

C17H27N3O4S — CID 113144795

IUPACN-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCOc1ccccc1N(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O4S/c1-4-24-16-8-6-5-7-15(16)20(25(3,22)23)10-9-17(21)19-13-11-18(2)12-14-19/h5-8H,4,9-14H2,1-3H3
InChIKeySJLWOXASIVINBS-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.02
Rot. Bonds7

About N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide

N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113144795) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113144795
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCCOc1ccccc1N(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O4S/c1-4-24-16-8-6-5-7-15(16)20(25(3,22)23)10-9-17(21)19-13-11-18(2)12-14-19/h5-8H,4,9-14H2,1-3H3
InChIKeySJLWOXASIVINBS-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146688
N-(2-ethoxyphenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]methanesulfonamide
CID 53286864
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
N-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113129221
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 113147065
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155338
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
ethyl 2-[methylsulfonyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 113146683
N-(2-ethoxyphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113129229
N-(2-ethyl-6-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142905
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113144795) is N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is CCOc1ccccc1N(CCC(=O)N1CCN(C)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is SJLWOXASIVINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-24-16-8-6-5-7-15(16)20(25(3,22)23)10-9-17(21)19-13-11-18(2)12-14-19/h5-8H,4,9-14H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113144795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).