2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide

C20H26ClN3O6S2 — CID 100798090

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1Cl
InChIInChI=1S/C20H26ClN3O6S2/c1-5-24(32(28,29)16-9-10-19(30-6-2)17(21)11-16)13-20(25)23-18-12-15(8-7-14(18)3)31(26,27)22-4/h7-12,22H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyHJXZSIYZQKIAEC-UHFFFAOYSA-N
MW504.03 g/mol
LogP2.60
Rot. Bonds10

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide (PubChem CID 100798090) has the molecular formula C20H26ClN3O6S2 and a molecular weight of 504.03 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
PubChem CID100798090
Molecular FormulaC20H26ClN3O6S2
Molecular Weight504.03 g/mol
Exact Mass503.10
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1Cl
InChIInChI=1S/C20H26ClN3O6S2/c1-5-24(32(28,29)16-9-10-19(30-6-2)17(21)11-16)13-20(25)23-18-12-15(8-7-14(18)3)31(26,27)22-4/h7-12,22H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyHJXZSIYZQKIAEC-UHFFFAOYSA-N
XLogP2.60
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.03
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 45373911
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45372744
N-(2,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373249
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
N-(4-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373266
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100798036
ethyl 2-[4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetate
CID 100798064
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 6461900
2-[4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetamide
CID 100798066

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide (CID 100798090) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is HJXZSIYZQKIAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O6S2/c1-5-24(32(28,29)16-9-10-19(30-6-2)17(21)11-16)13-20(25)23-18-12-15(8-7-14(18)3)31(26,27)22-4/h7-12,22H,5-6,13H2,1-4H3,(H,23,25).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 504.03 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 100798090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).