2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide

C17H19ClN2O4S2 — CID 2209121

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S2/c1-24-15-9-8-12(18)10-14(15)20(26(3,22)23)11-17(21)19-13-6-4-5-7-16(13)25-2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyJDHYZTZAMPHYEG-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.48
Rot. Bonds7

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2209121) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2209121
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S2/c1-24-15-9-8-12(18)10-14(15)20(26(3,22)23)11-17(21)19-13-6-4-5-7-16(13)25-2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyJDHYZTZAMPHYEG-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[(dimethylamino)sulfonyl]phenylamino}-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]methanesulfonamide
CID 846496
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1084866
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965785
N-(5-chloro-2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 999494
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021981
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1105780
N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-methyl-N-[2-(methylsulfanyl)phenyl]glycinamide
CID 1291266
N-(2-{[(2-Chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2-methoxyphenyl)methanesulfonamido]acetamide
CID 2287010
N-(5-chloro-2-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 2460073
2-[(2-ethoxyphenyl)(methylsulfonyl)amino]-N-(2-phenylthioethyl)acetamide
CID 2896970
N-(2-{[(4-Chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(2-methoxyphenyl)methanesulfonamido]acetamide
CID 2911605

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide (CID 2209121) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is JDHYZTZAMPHYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c1-24-15-9-8-12(18)10-14(15)20(26(3,22)23)11-17(21)19-13-6-4-5-7-16(13)25-2/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 414.94 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2209121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).