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

C16H15N3O4S — CID 9330046

IUPACN-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H15N3O4S/c1-11(20)18-13-7-8-15(23-2)14(9-13)19-24(21,22)16-6-4-3-5-12(16)10-17/h3-9,19H,1-2H3,(H,18,20)
InChIKeyAALGULDHKHUCRW-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.33
Rot. Bonds5

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

N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide (PubChem CID 9330046) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
PubChem CID9330046
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H15N3O4S/c1-11(20)18-13-7-8-15(23-2)14(9-13)19-24(21,22)16-6-4-3-5-12(16)10-17/h3-9,19H,1-2H3,(H,18,20)
InChIKeyAALGULDHKHUCRW-UHFFFAOYSA-N
XLogP2.33
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]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-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
2-cyano-N-(2,4-dimethoxy-3-methylphenyl)benzenesulfonamide
CID 110777916
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 167831780
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
N-(4-acetylphenyl)-2-cyanobenzenesulfonamide
CID 40655133
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide (CID 9330046) is N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The InChIKey is AALGULDHKHUCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-11(20)18-13-7-8-15(23-2)14(9-13)19-24(21,22)16-6-4-3-5-12(16)10-17/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 9330046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).