N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide

C18H19N3O3S — CID 113150616

IUPACN-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCc1ccccc1CN(CC(=O)Nc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-14-7-3-4-9-16(14)12-21(25(2,23)24)13-18(22)20-17-10-6-5-8-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyUGXCZXKRMSLEQE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.27
Rot. Bonds6

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

N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113150616) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113150616
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCc1ccccc1CN(CC(=O)Nc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-14-7-3-4-9-16(14)12-21(25(2,23)24)13-18(22)20-17-10-6-5-8-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyUGXCZXKRMSLEQE-UHFFFAOYSA-N
XLogP2.27
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
CID 113154862
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-cyanophenyl)propanamide
CID 113139529
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150551
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 113150616) is N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide is Cc1ccccc1CN(CC(=O)Nc1ccccc1C#N)S(C)(=O)=O.
What is the InChIKey of N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is UGXCZXKRMSLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-7-3-4-9-16(14)12-21(25(2,23)24)13-18(22)20-17-10-6-5-8-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).