N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide

C18H22N4O4S — CID 166229297

IUPACN-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N4O4S/c1-13(23)20-15-7-9-16(10-8-15)21-18(24)12-22(2)11-14-5-3-4-6-17(14)27(19,25)26/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyZUFSPQFTSKXLOM-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.36
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide

N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide (PubChem CID 166229297) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide
PubChem CID166229297
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C18H22N4O4S/c1-13(23)20-15-7-9-16(10-8-15)21-18(24)12-22(2)11-14-5-3-4-6-17(14)27(19,25)26/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyZUFSPQFTSKXLOM-UHFFFAOYSA-N
XLogP1.36
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8542629
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide (CID 166229297) is N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide?
The InChIKey is ZUFSPQFTSKXLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13(23)20-15-7-9-16(10-8-15)21-18(24)12-22(2)11-14-5-3-4-6-17(14)27(19,25)26/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)(H2,19,25,26).
What are the key properties of N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide has a molecular weight of 390.47 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[methyl-[(2-sulfamoylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 166229297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).