N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide

C17H16N4O3S2 — CID 166565316

IUPACN-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C17H16N4O3S2/c1-11-6-7-12(26(18,23)24)8-15(11)20-16(22)10-25-17-9-19-13-4-2-3-5-14(13)21-17/h2-9H,10H2,1H3,(H,20,22)(H2,18,23,24)
InChIKeyHEYZIXVESJNNNL-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.32
Rot. Bonds5

About N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide

N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide (PubChem CID 166565316) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide
PubChem CID166565316
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C17H16N4O3S2/c1-11-6-7-12(26(18,23)24)8-15(11)20-16(22)10-25-17-9-19-13-4-2-3-5-14(13)21-17/h2-9H,10H2,1H3,(H,20,22)(H2,18,23,24)
InChIKeyHEYZIXVESJNNNL-UHFFFAOYSA-N
XLogP2.32
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-5-sulfamoylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4131213
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31661543
N-(2-methyl-5-sulfamoylphenyl)-3-pyrazol-1-ylpropanamide
CID 61130308
N-[4-(dimethylamino)phenyl]-2-quinoxalin-2-ylsulfanylacetamide
CID 4054386
N-(2-methyl-5-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 27990943
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
2-[[(5R)-5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 124537987
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794265

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide (CID 166565316) is N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide?
The InChIKey is HEYZIXVESJNNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-6-7-12(26(18,23)24)8-15(11)20-16(22)10-25-17-9-19-13-4-2-3-5-14(13)21-17/h2-9H,10H2,1H3,(H,20,22)(H2,18,23,24).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide?
N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide has a molecular weight of 388.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-2-quinoxalin-2-ylsulfanylacetamide is sourced from PubChem (CID 166565316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).