2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide

C18H22N2O3S — CID 112992116

IUPAC2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2C)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-8-9-17(15(3)10-13)24(22,23)20-12-18(21)19-11-16-7-5-4-6-14(16)2/h4-10,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyMTMCXRPGZSKNLL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide

2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 112992116) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID112992116
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2C)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-8-9-17(15(3)10-13)24(22,23)20-12-18(21)19-11-16-7-5-4-6-14(16)2/h4-10,20H,11-12H2,1-3H3,(H,19,21)
InChIKeyMTMCXRPGZSKNLL-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide (CID 112992116) is 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2C)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is MTMCXRPGZSKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-8-9-17(15(3)10-13)24(22,23)20-12-18(21)19-11-16-7-5-4-6-14(16)2/h4-10,20H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide?
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 112992116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).