2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

C19H24N2O3S2 — CID 4179982

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S2/c1-15-11-16(2)13-17(12-15)21(26(3,23)24)14-19(22)20-9-10-25-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22)
InChIKeyQKQCYSLLLSZNKN-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.98
Rot. Bonds8

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 4179982) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID4179982
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCc1cc(C)cc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O3S2/c1-15-11-16(2)13-17(12-15)21(26(3,23)24)14-19(22)20-9-10-25-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22)
InChIKeyQKQCYSLLLSZNKN-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2261372
N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217353
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2281691
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51342626
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51344397
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 30262952
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30253967
N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 2283332
N-(2-benzylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 3143366
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30263050
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2228271

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (CID 4179982) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is Cc1cc(C)cc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is QKQCYSLLLSZNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15-11-16(2)13-17(12-15)21(26(3,23)24)14-19(22)20-9-10-25-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 4179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).