N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

C16H26N2O4S — CID 113152145

IUPACN-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CCN(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)17-15(19)12-18(23(5,20)21)11-10-13-8-6-7-9-14(13)22-4/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyOKHBELKTIXXGKJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.41
Rot. Bonds7

About N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152145) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152145
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1ccccc1CCN(CC(=O)NC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-16(2,3)17-15(19)12-18(23(5,20)21)11-10-13-8-6-7-9-14(13)22-4/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKeyOKHBELKTIXXGKJ-UHFFFAOYSA-N
XLogP1.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
CID 113067650
N-ethyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylacetamide
CID 113152166
N-[2-(2-methoxyphenyl)ethyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148084
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 113152128
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152145) is N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1ccccc1CCN(CC(=O)NC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is OKHBELKTIXXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-16(2,3)17-15(19)12-18(23(5,20)21)11-10-13-8-6-7-9-14(13)22-4/h6-9H,10-12H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).