N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

C17H26N2O5S — CID 113149638

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(CC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O5S/c1-23-15-7-5-14(6-8-15)9-10-18-17(20)13-19(25(2,21)22)12-16-4-3-11-24-16/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyFWPUGLWAUZDGHN-UHFFFAOYSA-N
MW370.47 g/mol
LogP0.79
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (PubChem CID 113149638) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
PubChem CID113149638
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(CC2CCCO2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O5S/c1-23-15-7-5-14(6-8-15)9-10-18-17(20)13-19(25(2,21)22)12-16-4-3-11-24-16/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyFWPUGLWAUZDGHN-UHFFFAOYSA-N
XLogP0.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
N-benzyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149615
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
N-(4-ethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149685
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113160229
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-[4-(4-methoxyphenyl)butyl]-2-(oxan-2-yl)acetamide
CID 110628016

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide (CID 113149638) is N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is COc1ccc(CCNC(=O)CN(CC2CCCO2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
The InChIKey is FWPUGLWAUZDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-23-15-7-5-14(6-8-15)9-10-18-17(20)13-19(25(2,21)22)12-16-4-3-11-24-16/h5-8,16H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide has a molecular weight of 370.47 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 113149638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).