2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C18H22N2O3S2 — CID 7510049

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2O3S2/c1-13-9-10-14(2)17(11-13)25(22,23)20(3)12-18(21)19-15-7-5-6-8-16(15)24-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyKUCJBLAHACUHLV-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.28
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 7510049) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID7510049
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2O3S2/c1-13-9-10-14(2)17(11-13)25(22,23)20(3)12-18(21)19-15-7-5-6-8-16(15)24-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyKUCJBLAHACUHLV-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 46557395
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 100781629
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 24678182
methyl 4-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 18096729
N-[(2R)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100780938
N-(2,5-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40690990
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 7510049) is 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is KUCJBLAHACUHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-9-10-14(2)17(11-13)25(22,23)20(3)12-18(21)19-15-7-5-6-8-16(15)24-4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7510049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).