2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

C20H25ClN2O4S — CID 4801402

IUPAC2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C(C)C)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-13(2)17-11-18(21)14(3)10-19(17)27-12-20(24)22-15-6-8-16(9-7-15)28(25,26)23(4)5/h6-11,13H,12H2,1-5H3,(H,22,24)
InChIKeyLDHJXZODACOPIX-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide

2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4801402) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4801402
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C(C)C)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-13(2)17-11-18(21)14(3)10-19(17)27-12-20(24)22-15-6-8-16(9-7-15)28(25,26)23(4)5/h6-11,13H,12H2,1-5H3,(H,22,24)
InChIKeyLDHJXZODACOPIX-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)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

2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
(4-chloro-5-methyl-2-propan-2-ylphenyl) 4-(dimethylsulfamoyl)benzoate
CID 18280867
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 35342822
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 31060775
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 7973800
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17095349
2-(4-chloro-2-nitrophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 7979740
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide (CID 4801402) is 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(C(C)C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is LDHJXZODACOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-13(2)17-11-18(21)14(3)10-19(17)27-12-20(24)22-15-6-8-16(9-7-15)28(25,26)23(4)5/h6-11,13H,12H2,1-5H3,(H,22,24).
What are the key properties of 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 424.95 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4801402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).