N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C18H22N2O3S — CID 963787

IUPACN-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-24(22,23)20(13-12-16-8-4-2-5-9-16)15-18(21)19-14-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21)
InChIKeyLJPSDPKSTYLPMU-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.81
Rot. Bonds8

About N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 963787) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID963787
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-24(22,23)20(13-12-16-8-4-2-5-9-16)15-18(21)19-14-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21)
InChIKeyLJPSDPKSTYLPMU-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 963787) is N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is LJPSDPKSTYLPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-24(22,23)20(13-12-16-8-4-2-5-9-16)15-18(21)19-14-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 346.45 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 963787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).