N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide

C19H21N3O3S — CID 113146726

IUPACN-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN(c1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-21(15-16-8-4-3-5-9-16)19(23)12-13-22(26(2,24)25)18-11-7-6-10-17(18)14-20/h3-11H,12-13,15H2,1-2H3
InChIKeyVOIBWJBXDMUVDD-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.37
Rot. Bonds7

About N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide

N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 113146726) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID113146726
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCN(c1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-21(15-16-8-4-3-5-9-16)19(23)12-13-22(26(2,24)25)18-11-7-6-10-17(18)14-20/h3-11H,12-13,15H2,1-2H3
InChIKeyVOIBWJBXDMUVDD-UHFFFAOYSA-N
XLogP2.37
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
3-(2-cyano-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113146724
N-[(4-chlorophenyl)methyl]-3-(2-cyano-N-methylsulfonylanilino)propanamide
CID 113146730
3-(2-cyano-N-methylsulfonylanilino)-2-methylpropanoic acid
CID 82321936
ethyl N-[2-(2-cyano-N-methylsulfonylanilino)ethyl]carbamate
CID 113072200
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
N-(2-cyanophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]methanesulfonamide
CID 113146738
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113142592
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113146850

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide (CID 113146726) is N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCN(c1ccccc1C#N)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is VOIBWJBXDMUVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21(15-16-8-4-3-5-9-16)19(23)12-13-22(26(2,24)25)18-11-7-6-10-17(18)14-20/h3-11H,12-13,15H2,1-2H3.
What are the key properties of N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide?
N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 113146726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).