N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide

C19H24N2O3S — CID 113066708

IUPACN-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
SMILESCc1cccc(CN(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-16-7-6-10-18(13-16)15-21(25(2,23)24)12-11-20-19(22)14-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyRNQOKYPFRBTTME-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.12
Rot. Bonds8

About N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide (PubChem CID 113066708) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
PubChem CID113066708
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
SMILESCc1cccc(CN(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S/c1-16-7-6-10-18(13-16)15-21(25(2,23)24)12-11-20-19(22)14-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyRNQOKYPFRBTTME-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide (CID 113066708) is N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide is Cc1cccc(CN(CCNC(=O)Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide?
The InChIKey is RNQOKYPFRBTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16-7-6-10-18(13-16)15-21(25(2,23)24)12-11-20-19(22)14-17-8-4-3-5-9-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide?
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113066708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).