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

C19H24N2O4S — CID 113150436

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-8-16(9-11-18)12-13-20-19(22)15-21(26(2,23)24)14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyIFDWRTIJUUOBOB-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.82
Rot. Bonds9

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

2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 113150436) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID113150436
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-8-16(9-11-18)12-13-20-19(22)15-21(26(2,23)24)14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,20,22)
InChIKeyIFDWRTIJUUOBOB-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 71902529
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
2-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100751066

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 113150436) is 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is IFDWRTIJUUOBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-18-10-8-16(9-11-18)12-13-20-19(22)15-21(26(2,23)24)14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,20,22).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113150436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).