N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

C19H21N3O4S — CID 113152253

IUPACN-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(CCN(CC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O4S/c1-26-18-5-3-4-15(12-18)10-11-22(27(2,24)25)14-19(23)21-17-8-6-16(13-20)7-9-17/h3-9,12H,10-11,14H2,1-2H3,(H,21,23)
InChIKeyBJNCASRXWSXHLC-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.01
Rot. Bonds8

About N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152253) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152253
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(CCN(CC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H21N3O4S/c1-26-18-5-3-4-15(12-18)10-11-22(27(2,24)25)14-19(23)21-17-8-6-16(13-20)7-9-17/h3-9,12H,10-11,14H2,1-2H3,(H,21,23)
InChIKeyBJNCASRXWSXHLC-UHFFFAOYSA-N
XLogP2.01
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]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

N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152253) is N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1cccc(CCN(CC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is BJNCASRXWSXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-26-18-5-3-4-15(12-18)10-11-22(27(2,24)25)14-19(23)21-17-8-6-16(13-20)7-9-17/h3-9,12H,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).