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

C17H16N4O5S2 — CID 162654855

IUPACN-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c1
InChIInChI=1S/C17H16N4O5S2/c1-25-13-4-2-3-12(9-13)19-15(22)10-27-17-21-20-16(26-17)11-5-7-14(8-6-11)28(18,23)24/h2-9H,10H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyITPIUJSTAATYDD-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.12
Rot. Bonds7

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

N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 162654855) has the molecular formula C17H16N4O5S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID162654855
Molecular FormulaC17H16N4O5S2
Molecular Weight420.47 g/mol
Exact Mass420.06
IUPAC NameN-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c1
InChIInChI=1S/C17H16N4O5S2/c1-25-13-4-2-3-12(9-13)19-15(22)10-27-17-21-20-16(26-17)11-5-7-14(8-6-11)28(18,23)24/h2-9H,10H2,1H3,(H,19,22)(H2,18,23,24)
InChIKeyITPIUJSTAATYDD-UHFFFAOYSA-N
XLogP2.12
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4830074
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,5-dimethoxy-phenyl)-acetamide
CID 3184984
N-Benzo[1,3]dioxol-5-yl-2-[5-(4-diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 646995
N-(4-{2-[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-2-methoxy-phenyl)-acetamide
CID 653071
N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1071228
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 1289607
N-(3-methoxyphenyl)-2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 3366714
N-(4-fluorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654093
N-(4-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660683
N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660744
N-phenyl-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162666875
2-{5-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-N-m-tolyl-acetamide
CID 648364

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 162654855) is N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc(-c3ccc(S(N)(=O)=O)cc3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ITPIUJSTAATYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S2/c1-25-13-4-2-3-12(9-13)19-15(22)10-27-17-21-20-16(26-17)11-5-7-14(8-6-11)28(18,23)24/h2-9H,10H2,1H3,(H,19,22)(H2,18,23,24).
What are the key properties of N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 162654855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).