N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

C16H18N2O4S — CID 2235529

IUPACN-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-3-5-13(6-4-12)18-23(20,21)15-9-7-14(8-10-15)22-11-16(19)17-2/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyOIAKDFUVVFFPJX-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.92
Rot. Bonds6

About N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 2235529) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID2235529
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-3-5-13(6-4-12)18-23(20,21)15-9-7-14(8-10-15)22-11-16(19)17-2/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyOIAKDFUVVFFPJX-UHFFFAOYSA-N
XLogP1.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 2235529) is N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is OIAKDFUVVFFPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-3-5-13(6-4-12)18-23(20,21)15-9-7-14(8-10-15)22-11-16(19)17-2/h3-10,18H,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 2235529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).