2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide

C22H20Cl2N2O4S2 — CID 3358503

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CSc3cc(Cl)ccc3Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O4S2/c1-14-3-9-18(32(28,29)26-16-5-7-17(30-2)8-6-16)12-20(14)25-22(27)13-31-21-11-15(23)4-10-19(21)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyVPHOGTXGKDVYCQ-UHFFFAOYSA-N
MW511.45 g/mol
LogP5.84
Rot. Bonds8

About 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide (PubChem CID 3358503) has the molecular formula C22H20Cl2N2O4S2 and a molecular weight of 511.45 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
PubChem CID3358503
Molecular FormulaC22H20Cl2N2O4S2
Molecular Weight511.45 g/mol
Exact Mass510.02
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CSc3cc(Cl)ccc3Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O4S2/c1-14-3-9-18(32(28,29)26-16-5-7-17(30-2)8-6-16)12-20(14)25-22(27)13-31-21-11-15(23)4-10-19(21)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyVPHOGTXGKDVYCQ-UHFFFAOYSA-N
XLogP5.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.45
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide with MolForge

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Related Compounds

N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
CID 4969682
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436
1-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803245
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 3523153
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
(2R)-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 92681887
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide (CID 3358503) is 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CSc3cc(Cl)ccc3Cl)c2)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
The InChIKey is VPHOGTXGKDVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S2/c1-14-3-9-18(32(28,29)26-16-5-7-17(30-2)8-6-16)12-20(14)25-22(27)13-31-21-11-15(23)4-10-19(21)24/h3-12,26H,13H2,1-2H3,(H,25,27).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide has a molecular weight of 511.45 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 3358503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).