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

C15H15N5O4S2 — CID 135734094

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15N5O4S2/c1-9-4-5-10(7-12(9)26(16,22)23)18-13(21)8-25-15-20-19-14(24-15)11-3-2-6-17-11/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,22,23)
InChIKeyYEWUEGGBNHHWNK-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.75
Rot. Bonds6

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

N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 135734094) has the molecular formula C15H15N5O4S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID135734094
Molecular FormulaC15H15N5O4S2
Molecular Weight393.45 g/mol
Exact Mass393.06
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H15N5O4S2/c1-9-4-5-10(7-12(9)26(16,22)23)18-13(21)8-25-15-20-19-14(24-15)11-3-2-6-17-11/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,22,23)
InChIKeyYEWUEGGBNHHWNK-UHFFFAOYSA-N
XLogP1.75
TPSA143.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(3-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 645555
2-[[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7805682
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
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methyl 4-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 135734094) is N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc(-c3ccc[nH]3)o2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YEWUEGGBNHHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S2/c1-9-4-5-10(7-12(9)26(16,22)23)18-13(21)8-25-15-20-19-14(24-15)11-3-2-6-17-11/h2-7,17H,8H2,1H3,(H,18,21)(H2,16,22,23).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-[[5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135734094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).