2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide

C20H26N2O3S — CID 113066857

IUPAC2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCN(C(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-9-11-18(12-10-16)15-20(23)21-13-14-22(26(3,24)25)17(2)19-7-5-4-6-8-19/h4-12,17H,13-15H2,1-3H3,(H,21,23)
InChIKeyXINBLEFIUCHGCO-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.68
Rot. Bonds8

About 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide

2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide (PubChem CID 113066857) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
PubChem CID113066857
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
SMILESCc1ccc(CC(=O)NCCN(C(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-9-11-18(12-10-16)15-20(23)21-13-14-22(26(3,24)25)17(2)19-7-5-4-6-8-19/h4-12,17H,13-15H2,1-3H3,(H,21,23)
InChIKeyXINBLEFIUCHGCO-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113066849
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066850
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
CID 113068029

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide (CID 113066857) is 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide is Cc1ccc(CC(=O)NCCN(C(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide?
The InChIKey is XINBLEFIUCHGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-9-11-18(12-10-16)15-20(23)21-13-14-22(26(3,24)25)17(2)19-7-5-4-6-8-19/h4-12,17H,13-15H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide?
2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide is sourced from PubChem (CID 113066857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).