N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C18H19N3O3S — CID 133184237

IUPACN-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-21(25(2,23)24)17(15-6-4-3-5-7-15)18(22)20-16-10-8-14(9-11-16)12-13-19/h3-11,17H,12H2,1-2H3,(H,20,22)
InChIKeyITIBUMJAFNFPAJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.32
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133184237) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133184237
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-21(25(2,23)24)17(15-6-4-3-5-7-15)18(22)20-16-10-8-14(9-11-16)12-13-19/h3-11,17H,12H2,1-2H3,(H,20,22)
InChIKeyITIBUMJAFNFPAJ-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
CID 104916745
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-prop-2-enoxyphenyl)acetamide
CID 133187295
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(2-phenylphenyl)acetamide
CID 125058384
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942
3-[4-(cyanomethyl)phenyl]-1-methyl-1-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
CID 95570913

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133184237) is N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN(C(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is ITIBUMJAFNFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21(25(2,23)24)17(15-6-4-3-5-7-15)18(22)20-16-10-8-14(9-11-16)12-13-19/h3-11,17H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 357.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133184237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).