2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide

C24H22ClN3O4S — CID 2695486

IUPAC2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-2-32-21-10-12-22(13-11-21)33(30,31)28(16-19-7-3-4-9-23(19)25)17-24(29)27-20-8-5-6-18(14-20)15-26/h3-14H,2,16-17H2,1H3,(H,27,29)
InChIKeyDYGKAHAMMPPYFJ-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.44
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide

2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide (PubChem CID 2695486) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
PubChem CID2695486
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2Cl)cc1
InChIInChI=1S/C24H22ClN3O4S/c1-2-32-21-10-12-22(13-11-21)33(30,31)28(16-19-7-3-4-9-23(19)25)17-24(29)27-20-8-5-6-18(14-20)15-26/h3-14H,2,16-17H2,1H3,(H,27,29)
InChIKeyDYGKAHAMMPPYFJ-UHFFFAOYSA-N
XLogP4.44
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100792586
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 100797392
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 100794127
N-(3-chloro-4-methylphenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069656
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 126204078
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083141
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(3-cyanophenyl)acetamide
CID 100789747
2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 29282284
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide (CID 2695486) is 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide?
The InChIKey is DYGKAHAMMPPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-2-32-21-10-12-22(13-11-21)33(30,31)28(16-19-7-3-4-9-23(19)25)17-24(29)27-20-8-5-6-18(14-20)15-26/h3-14H,2,16-17H2,1H3,(H,27,29).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide?
2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide has a molecular weight of 483.98 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-ethoxyphenyl)sulfonylamino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 2695486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).