N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

C19H22Cl2N2O3S2 — CID 17309965

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O3S2/c1-19(2,3)23-28(25,26)15-7-5-14(6-8-15)22-18(24)12-27-11-13-4-9-16(20)17(21)10-13/h4-10,23H,11-12H2,1-3H3,(H,22,24)
InChIKeyLQMSNOQJUFVZFY-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.94
Rot. Bonds7

About N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 17309965) has the molecular formula C19H22Cl2N2O3S2 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID17309965
Molecular FormulaC19H22Cl2N2O3S2
Molecular Weight461.44 g/mol
Exact Mass460.04
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H22Cl2N2O3S2/c1-19(2,3)23-28(25,26)15-7-5-14(6-8-15)22-18(24)12-27-11-13-4-9-16(20)17(21)10-13/h4-10,23H,11-12H2,1-3H3,(H,22,24)
InChIKeyLQMSNOQJUFVZFY-UHFFFAOYSA-N
XLogP4.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]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-(cyclohexylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17310008
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219362
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46771851
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312
ethyl 3-[4-(tert-butylsulfamoyl)anilino]-3-oxopropanoate
CID 17097498
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
methyl 4-[4-(tert-butylsulfamoyl)anilino]-4-oxobutanoate
CID 5199846
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (CID 17309965) is N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is LQMSNOQJUFVZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S2/c1-19(2,3)23-28(25,26)15-7-5-14(6-8-15)22-18(24)12-27-11-13-4-9-16(20)17(21)10-13/h4-10,23H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 461.44 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 17309965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).