2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide

C19H22Cl2N2O4S — CID 27219471

IUPAC2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H22Cl2N2O4S/c1-3-23(13-19(24)22-16-6-4-5-7-17(16)27-2)10-11-28(25,26)18-12-14(20)8-9-15(18)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
InChIKeyYYIYWXUGUONFAE-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.74
Rot. Bonds9

About 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide

2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 27219471) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID27219471
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H22Cl2N2O4S/c1-3-23(13-19(24)22-16-6-4-5-7-17(16)27-2)10-11-28(25,26)18-12-14(20)8-9-15(18)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
InChIKeyYYIYWXUGUONFAE-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 1334485
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 38794518
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
CID 17260707
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)sulfonylpropanamide
CID 8763575
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372185
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
methyl 2-[[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45371987

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide (CID 27219471) is 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide is CCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is YYIYWXUGUONFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-3-23(13-19(24)22-16-6-4-5-7-17(16)27-2)10-11-28(25,26)18-12-14(20)8-9-15(18)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide?
2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 445.37 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 27219471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).