2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide

C21H25ClN2O4S2 — CID 1008134

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S2/c1-29-20-10-6-5-9-18(20)23-21(25)14-28-19-12-11-16(13-17(19)22)30(26,27)24-15-7-3-2-4-8-15/h5-6,9-13,15,24H,2-4,7-8,14H2,1H3,(H,23,25)
InChIKeyPBNGVWMUVJLJFG-UHFFFAOYSA-N
MW469.03 g/mol
LogP4.69
Rot. Bonds8

About 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 1008134) has the molecular formula C21H25ClN2O4S2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID1008134
Molecular FormulaC21H25ClN2O4S2
Molecular Weight469.03 g/mol
Exact Mass468.09
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C21H25ClN2O4S2/c1-29-20-10-6-5-9-18(20)23-21(25)14-28-19-12-11-16(13-17(19)22)30(26,27)24-15-7-3-2-4-8-15/h5-6,9-13,15,24H,2-4,7-8,14H2,1H3,(H,23,25)
InChIKeyPBNGVWMUVJLJFG-UHFFFAOYSA-N
XLogP4.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1008131
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 1264165
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28556105
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 126274408
N-(2-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374374
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 2981487
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1317115
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875153

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide (CID 1008134) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is PBNGVWMUVJLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S2/c1-29-20-10-6-5-9-18(20)23-21(25)14-28-19-12-11-16(13-17(19)22)30(26,27)24-15-7-3-2-4-8-15/h5-6,9-13,15,24H,2-4,7-8,14H2,1H3,(H,23,25).
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 469.03 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1008134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).