N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide

C15H22N2O4S — CID 113148084

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)NCCc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-4-11-17(22(3,19)20)12-15(18)16-10-9-13-7-5-6-8-14(13)21-2/h4-8H,1,9-12H2,2-3H3,(H,16,18)
InChIKeyJFGBVTYQSKJPJM-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.80
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (PubChem CID 113148084) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
PubChem CID113148084
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)NCCc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-4-11-17(22(3,19)20)12-15(18)16-10-9-13-7-5-6-8-14(13)21-2/h4-8H,1,9-12H2,2-3H3,(H,16,18)
InChIKeyJFGBVTYQSKJPJM-UHFFFAOYSA-N
XLogP0.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522157
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 31115277
2-[2-(2-methoxyphenyl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 106262023
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
CID 113067650
N-[2-(2-fluorophenyl)ethyl]-3-[methylsulfonyl(prop-2-enyl)amino]propanamide
CID 113136483
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
N-[(2-methoxyphenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148464
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 37097170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide (CID 113148084) is N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is C=CCN(CC(=O)NCCc1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
The InChIKey is JFGBVTYQSKJPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-11-17(22(3,19)20)12-15(18)16-10-9-13-7-5-6-8-14(13)21-2/h4-8H,1,9-12H2,2-3H3,(H,16,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 113148084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).