N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C18H22N2O3S — CID 772299

IUPACN-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-6-5-7-16(10-12)20-17(21)11-19-24(22,23)18-14(3)8-13(2)9-15(18)4/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyQRNXOLWEYSTGPI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.84
Rot. Bonds5

About N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 772299) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID772299
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-6-5-7-16(10-12)20-17(21)11-19-24(22,23)18-14(3)8-13(2)9-15(18)4/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyQRNXOLWEYSTGPI-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112998200
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 112996149
N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189
N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112996585
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000466
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1055767
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
N-ethyl-N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113002201
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 772299) is N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is QRNXOLWEYSTGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-6-5-7-16(10-12)20-17(21)11-19-24(22,23)18-14(3)8-13(2)9-15(18)4/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 772299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).