N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

C19H23ClN2O4S2 — CID 100545643

IUPACN-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1NC(=O)C(C)C
InChIInChI=1S/C19H23ClN2O4S2/c1-13(2)19(23)22-17-12-16(8-9-18(17)27-3)28(24,25)21-10-11-26-15-6-4-14(20)5-7-15/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyXETSCKCBTRKISX-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.01
Rot. Bonds9

About N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide

N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (PubChem CID 100545643) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
PubChem CID100545643
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC NameN-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
SMILESCSc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1NC(=O)C(C)C
InChIInChI=1S/C19H23ClN2O4S2/c1-13(2)19(23)22-17-12-16(8-9-18(17)27-3)28(24,25)21-10-11-26-15-6-4-14(20)5-7-15/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyXETSCKCBTRKISX-UHFFFAOYSA-N
XLogP4.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide 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-methyl-N-[2-methylsulfanyl-5-[2-(4-propylphenoxy)ethylsulfamoyl]phenyl]propanamide
CID 100564472
N-[5-[3-(4-ethoxyphenyl)propylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100641134
N-[5-[1-(4-methoxyphenoxy)propan-2-ylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133199500
N-[5-(butan-2-ylsulfamoyl)-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133219435
2-methyl-N-[5-(3-methylbutan-2-ylsulfamoyl)-2-methylsulfanylphenyl]propanamide
CID 133250230
2-methyl-N-[2-methylsulfanyl-5-[(2,3,4-trimethoxyphenyl)methylsulfamoyl]phenyl]propanamide
CID 100601444
2-methyl-N-(2-methylsulfanyl-5-sulfamoylphenyl)propanamide
CID 100660836
N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100565594
N-[5-[[1-(4-methoxyphenyl)-3-methylbutyl]sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 133202310
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-[5-[(2,3-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100621008
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The IUPAC name of N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide (CID 100545643) is N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is CSc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1NC(=O)C(C)C.
What is the InChIKey of N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
The InChIKey is XETSCKCBTRKISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-13(2)19(23)22-17-12-16(8-9-18(17)27-3)28(24,25)21-10-11-26-15-6-4-14(20)5-7-15/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide?
N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide has a molecular weight of 442.99 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chlorophenoxy)ethylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide is sourced from PubChem (CID 100545643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).