2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide

C20H26N2O3S — CID 113066790

IUPAC2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
SMILESCc1ccc(CN(CCNC(=O)Cc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-8-10-18(11-9-16)15-22(26(3,24)25)13-12-21-20(23)14-19-7-5-4-6-17(19)2/h4-11H,12-15H2,1-3H3,(H,21,23)
InChIKeyVUTVOULQIOABEK-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.42
Rot. Bonds8

About 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide

2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide (PubChem CID 113066790) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
PubChem CID113066790
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
SMILESCc1ccc(CN(CCNC(=O)Cc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-8-10-18(11-9-16)15-22(26(3,24)25)13-12-21-20(23)14-19-7-5-4-6-17(19)2/h4-11H,12-15H2,1-3H3,(H,21,23)
InChIKeyVUTVOULQIOABEK-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748
2-methyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066750
2-ethyl-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]butanamide
CID 113066757
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide (CID 113066790) is 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide is Cc1ccc(CN(CCNC(=O)Cc2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide?
The InChIKey is VUTVOULQIOABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-8-10-18(11-9-16)15-22(26(3,24)25)13-12-21-20(23)14-19-7-5-4-6-17(19)2/h4-11H,12-15H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide?
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113066790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).