N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C19H30N2O5S — CID 113140759

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCOc1ccc(OCCN(CCC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O5S/c1-16-8-11-20(12-9-16)19(22)10-13-21(27(3,23)24)14-15-26-18-6-4-17(25-2)5-7-18/h4-7,16H,8-15H2,1-3H3
InChIKeyPMQPPYRAFVHGNC-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.98
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113140759) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113140759
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCOc1ccc(OCCN(CCC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O5S/c1-16-8-11-20(12-9-16)19(22)10-13-21(27(3,23)24)14-15-26-18-6-4-17(25-2)5-7-18/h4-7,16H,8-15H2,1-3H3
InChIKeyPMQPPYRAFVHGNC-UHFFFAOYSA-N
XLogP1.98
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113152194
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
N-(5-chloro-2-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144392
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119483773
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
3-(4-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 71805673
4-ethoxy-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319253

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113140759) is N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is COc1ccc(OCCN(CCC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is PMQPPYRAFVHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-16-8-11-20(12-9-16)19(22)10-13-21(27(3,23)24)14-15-26-18-6-4-17(25-2)5-7-18/h4-7,16H,8-15H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113140759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).