2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

C17H18Cl2N2O3S2 — CID 60552730

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2N2O3S2/c1-3-26(23,24)21-15-7-5-13(8-11(15)2)20-17(22)10-25-16-9-12(18)4-6-14(16)19/h4-9,21H,3,10H2,1-2H3,(H,20,22)
InChIKeyTZXCLBMOLHHDEI-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.79
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (PubChem CID 60552730) has the molecular formula C17H18Cl2N2O3S2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
PubChem CID60552730
Molecular FormulaC17H18Cl2N2O3S2
Molecular Weight433.38 g/mol
Exact Mass432.01
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1C
InChIInChI=1S/C17H18Cl2N2O3S2/c1-3-26(23,24)21-15-7-5-13(8-11(15)2)20-17(22)10-25-16-9-12(18)4-6-14(16)19/h4-9,21H,3,10H2,1-2H3,(H,20,22)
InChIKeyTZXCLBMOLHHDEI-UHFFFAOYSA-N
XLogP4.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86971491
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 55947056
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]propanamide
CID 55982530
2-(2,5-dichlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]acetamide
CID 3358503
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (CID 60552730) is 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)cc1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The InChIKey is TZXCLBMOLHHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S2/c1-3-26(23,24)21-15-7-5-13(8-11(15)2)20-17(22)10-25-16-9-12(18)4-6-14(16)19/h4-9,21H,3,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide has a molecular weight of 433.38 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is sourced from PubChem (CID 60552730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).