N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H16N4O4S2 — CID 162660744

IUPACN-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C17H16N4O4S2/c1-11-2-6-13(7-3-11)19-15(22)10-26-17-21-20-16(25-17)12-4-8-14(9-5-12)27(18,23)24/h2-9H,10H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyHIMKSCAYILRYMJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.42
Rot. Bonds6

About N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 162660744) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID162660744
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC NameN-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C17H16N4O4S2/c1-11-2-6-13(7-3-11)19-15(22)10-26-17-21-20-16(25-17)12-4-8-14(9-5-12)27(18,23)24/h2-9H,10H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyHIMKSCAYILRYMJ-UHFFFAOYSA-N
XLogP2.42
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 162660744) is N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HIMKSCAYILRYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-11-2-6-13(7-3-11)19-15(22)10-26-17-21-20-16(25-17)12-4-8-14(9-5-12)27(18,23)24/h2-9H,10H2,1H3,(H,19,22)(H2,18,23,24).
What are the key properties of N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 162660744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).