2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide

C19H22Cl2N2O4S — CID 45373911

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-4-23(12-19(24)22-17-8-6-14(20)10-13(17)3)28(25,26)15-7-9-18(27-5-2)16(21)11-15/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyVRIUWYMCLOZMRV-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.35
Rot. Bonds8

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 45373911) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID45373911
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-4-23(12-19(24)22-17-8-6-14(20)10-13(17)3)28(25,26)15-7-9-18(27-5-2)16(21)11-15/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyVRIUWYMCLOZMRV-UHFFFAOYSA-N
XLogP4.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373266
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100798090
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45372744
N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 28548744
N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373387
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-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide (CID 45373911) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(Cl)cc2C)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is VRIUWYMCLOZMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-4-23(12-19(24)22-17-8-6-14(20)10-13(17)3)28(25,26)15-7-9-18(27-5-2)16(21)11-15/h6-11H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 445.37 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 45373911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).