N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C17H20N2O4S — CID 24640543

IUPACN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-4-5-13(2)16(10-12)19-17(20)11-18-24(21,22)15-8-6-14(23-3)7-9-15/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyZTXGOUCIEWIUBG-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.23
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 24640543) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID24640543
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-12-4-5-13(2)16(10-12)19-17(20)11-18-24(21,22)15-8-6-14(23-3)7-9-15/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyZTXGOUCIEWIUBG-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 24640543) is N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is ZTXGOUCIEWIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-4-5-13(2)16(10-12)19-17(20)11-18-24(21,22)15-8-6-14(23-3)7-9-15/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24640543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).