N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

C17H20N2O4S — CID 30328422

IUPACN-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(20)18-15-8-10-16(11-9-15)24(21,22)19(2)12-14-6-4-5-7-17(14)23-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyNLKHNDGGSKUWHN-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 30328422) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
PubChem CID30328422
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(20)18-15-8-10-16(11-9-15)24(21,22)19(2)12-14-6-4-5-7-17(14)23-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyNLKHNDGGSKUWHN-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
[2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-4-acetyloxy-5-methoxyphenyl] acetate
CID 91691887
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 2672822
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 42903630
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N-[5-[(2-methoxyphenyl)methyl-methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100768809
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 9368344

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (CID 30328422) is N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is COc1ccccc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is NLKHNDGGSKUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(20)18-15-8-10-16(11-9-15)24(21,22)19(2)12-14-6-4-5-7-17(14)23-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 30328422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).