2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide

C20H26N2O4S2 — CID 2286242

IUPAC2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S2/c1-16-8-10-17(11-9-16)15-27-13-12-21-20(23)14-22(28(3,24)25)18-6-4-5-7-19(18)26-2/h4-11H,12-15H2,1-3H3,(H,21,23)
InChIKeyMQYKJQDGAXGHDG-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.82
Rot. Bonds10

About 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide

2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2286242) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2286242
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S2/c1-16-8-10-17(11-9-16)15-27-13-12-21-20(23)14-22(28(3,24)25)18-6-4-5-7-19(18)26-2/h4-11H,12-15H2,1-3H3,(H,21,23)
InChIKeyMQYKJQDGAXGHDG-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2292014
N-(3-benzylsulfanylpropyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 30243383
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51342896
2-(4-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2292030
N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30243170
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2283477
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 51342980
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2261372
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2289798
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51343405
N-[3-[(4-methylphenyl)methylsulfanyl]propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30301142
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342743

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide (CID 2286242) is 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide is COc1ccccc1N(CC(=O)NCCSCc1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is MQYKJQDGAXGHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-16-8-10-17(11-9-16)15-27-13-12-21-20(23)14-22(28(3,24)25)18-6-4-5-7-19(18)26-2/h4-11H,12-15H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2286242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).