N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide

C15H24N2O4S — CID 113067650

IUPACN-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-4-15(18)16-10-12-17(22(3,19)20)11-9-13-7-5-6-8-14(13)21-2/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyCAYGQAKMUQJWRH-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.03
Rot. Bonds9

About N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide

N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide (PubChem CID 113067650) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
PubChem CID113067650
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
SMILESCCC(=O)NCCN(CCc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-4-15(18)16-10-12-17(22(3,19)20)11-9-13-7-5-6-8-14(13)21-2/h5-8H,4,9-12H2,1-3H3,(H,16,18)
InChIKeyCAYGQAKMUQJWRH-UHFFFAOYSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclobutanecarboxamide
CID 113067675
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113067658
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148084
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
2-methoxy-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067504
N-ethyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylacetamide
CID 113152166
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140419
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide (CID 113067650) is N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide is CCC(=O)NCCN(CCc1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide?
The InChIKey is CAYGQAKMUQJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-15(18)16-10-12-17(22(3,19)20)11-9-13-7-5-6-8-14(13)21-2/h5-8H,4,9-12H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide?
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide is sourced from PubChem (CID 113067650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).