N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

C19H21N3O5S — CID 51342784

IUPACN-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O5S/c1-26-16-8-9-18(27-2)17(12-16)22(28(3,24)25)13-19(23)21-15-6-4-14(5-7-15)10-11-20/h4-9,12H,10,13H2,1-3H3,(H,21,23)
InChIKeyLNLFYPIIEPFGDH-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.17
Rot. Bonds8

About N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 51342784) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID51342784
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O5S/c1-26-16-8-9-18(27-2)17(12-16)22(28(3,24)25)13-19(23)21-15-6-4-14(5-7-15)10-11-20/h4-9,12H,10,13H2,1-3H3,(H,21,23)
InChIKeyLNLFYPIIEPFGDH-UHFFFAOYSA-N
XLogP2.17
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide 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

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998604
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278367
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
N-[4-(cyanomethyl)phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1278436
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1343105
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1288778
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43881644

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (CID 51342784) is N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is LNLFYPIIEPFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-26-16-8-9-18(27-2)17(12-16)22(28(3,24)25)13-19(23)21-15-6-4-14(5-7-15)10-11-20/h4-9,12H,10,13H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 403.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 51342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).