2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

C17H20N2O4S — CID 169370537

IUPAC2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C17H20N2O4S/c1-12-7-9-14(10-8-12)24(21,22)19-16-6-4-5-15(13(16)2)18-17(20)11-23-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyDFLAJJHLZCCWAK-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.69
Rot. Bonds6

About 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 169370537) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID169370537
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C17H20N2O4S/c1-12-7-9-14(10-8-12)24(21,22)19-16-6-4-5-15(13(16)2)18-17(20)11-23-3/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyDFLAJJHLZCCWAK-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 35545961
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopentanecarboxamide
CID 169370677
2-methoxy-N-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 25335006
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(2,3-dimethylphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126381639
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 169370537) is 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is COCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is DFLAJJHLZCCWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-7-9-14(10-8-12)24(21,22)19-16-6-4-5-15(13(16)2)18-17(20)11-23-3/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methyl-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 169370537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).