2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

C18H22N2O3S2 — CID 126035464

IUPAC2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-7-5-10-17(14(13)2)20(25(4,22)23)12-18(21)19-15-8-6-9-16(11-15)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyXOCPVIPVSKNFGB-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.43
Rot. Bonds6

About 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 126035464) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID126035464
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-7-5-10-17(14(13)2)20(25(4,22)23)12-18(21)19-15-8-6-9-16(11-15)24-3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyXOCPVIPVSKNFGB-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1315120
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126031230
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126030814
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126035444
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126122522
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 126035464) is 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is XOCPVIPVSKNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-7-5-10-17(14(13)2)20(25(4,22)23)12-18(21)19-15-8-6-9-16(11-15)24-3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126035464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).