N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C18H28N2O4S — CID 113152194

IUPACN-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCOc1cccc(CCN(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O4S/c1-15-7-10-19(11-8-15)18(21)14-20(25(3,22)23)12-9-16-5-4-6-17(13-16)24-2/h4-6,13,15H,7-12,14H2,1-3H3
InChIKeyRWDUIJMOROTNLQ-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.76
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 113152194) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID113152194
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCOc1cccc(CCN(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1
InChIInChI=1S/C18H28N2O4S/c1-15-7-10-19(11-8-15)18(21)14-20(25(3,22)23)12-9-16-5-4-6-17(13-16)24-2/h4-6,13,15H,7-12,14H2,1-3H3
InChIKeyRWDUIJMOROTNLQ-UHFFFAOYSA-N
XLogP1.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 113152203
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164653
N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140759
2-[(3-methoxyphenyl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78787759

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 113152194) is N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is COc1cccc(CCN(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is RWDUIJMOROTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-15-7-10-19(11-8-15)18(21)14-20(25(3,22)23)12-9-16-5-4-6-17(13-16)24-2/h4-6,13,15H,7-12,14H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 113152194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).