2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide

C28H28ClN3O5S — CID 91207044

IUPAC2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)NC2CCOCC2)ccc1NC(=O)Cc1ccc(C)c(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C28H28ClN3O5S/c1-18-6-7-20(15-27(18)37-26-5-3-4-24(29)23(26)17-30)16-28(33)31-25-9-8-22(14-19(25)2)38(34,35)32-21-10-12-36-13-11-21/h3-9,14-15,21,32H,10-13,16H2,1-2H3,(H,31,33)
InChIKeyVTSDPWUOLMWMMN-UHFFFAOYSA-N
MW554.07 g/mol
LogP5.26
Rot. Bonds8

About 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide

2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide (PubChem CID 91207044) has the molecular formula C28H28ClN3O5S and a molecular weight of 554.07 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide
PubChem CID91207044
Molecular FormulaC28H28ClN3O5S
Molecular Weight554.07 g/mol
Exact Mass553.14
IUPAC Name2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)NC2CCOCC2)ccc1NC(=O)Cc1ccc(C)c(Oc2cccc(Cl)c2C#N)c1
InChIInChI=1S/C28H28ClN3O5S/c1-18-6-7-20(15-27(18)37-26-5-3-4-24(29)23(26)17-30)16-28(33)31-25-9-8-22(14-19(25)2)38(34,35)32-21-10-12-36-13-11-21/h3-9,14-15,21,32H,10-13,16H2,1-2H3,(H,31,33)
InChIKeyVTSDPWUOLMWMMN-UHFFFAOYSA-N
XLogP5.26
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.07
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]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

3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide
CID 91405841
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
CID 58962489
4-(3-chloro-2-cyanophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 6733541
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
2-methyl-4-(oxan-4-ylsulfamoyl)benzenecarbothioamide
CID 106920065
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide (CID 91207044) is 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide is Cc1cc(S(=O)(=O)NC2CCOCC2)ccc1NC(=O)Cc1ccc(C)c(Oc2cccc(Cl)c2C#N)c1.
What is the InChIKey of 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide?
The InChIKey is VTSDPWUOLMWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O5S/c1-18-6-7-20(15-27(18)37-26-5-3-4-24(29)23(26)17-30)16-28(33)31-25-9-8-22(14-19(25)2)38(34,35)32-21-10-12-36-13-11-21/h3-9,14-15,21,32H,10-13,16H2,1-2H3,(H,31,33).
What are the key properties of 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide?
2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide has a molecular weight of 554.07 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-cyanophenoxy)-4-methylphenyl]-N-[2-methyl-4-(oxan-4-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 91207044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).