N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H20N4O4S3 — CID 3221352

IUPACN-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1
InChIInChI=1S/C18H20N4O4S3/c1-2-9-19-16(23)12-28-18-22-21-17(26-18)13-5-7-15(8-6-13)29(24,25)20-11-14-4-3-10-27-14/h3-8,10,20H,2,9,11-12H2,1H3,(H,19,23)
InChIKeyJJPAYKHLKUDFJH-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.89
Rot. Bonds10

About N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3221352) has the molecular formula C18H20N4O4S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3221352
Molecular FormulaC18H20N4O4S3
Molecular Weight452.58 g/mol
Exact Mass452.06
IUPAC NameN-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1
InChIInChI=1S/C18H20N4O4S3/c1-2-9-19-16(23)12-28-18-22-21-17(26-18)13-5-7-15(8-6-13)29(24,25)20-11-14-4-3-10-27-14/h3-8,10,20H,2,9,11-12H2,1H3,(H,19,23)
InChIKeyJJPAYKHLKUDFJH-UHFFFAOYSA-N
XLogP2.89
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3708224
2-[[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 3221358
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 7826301
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4685452
N-benzyl-2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1168011
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
(2R)-N-propyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]propanamide
CID 8582329
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 78765703
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8951232
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 102630549
N-(2-methoxyethyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7658202
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 4823535

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3221352) is N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1.
What is the InChIKey of N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is JJPAYKHLKUDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S3/c1-2-9-19-16(23)12-28-18-22-21-17(26-18)13-5-7-15(8-6-13)29(24,25)20-11-14-4-3-10-27-14/h3-8,10,20H,2,9,11-12H2,1H3,(H,19,23).
What are the key properties of N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[5-[4-(thiophen-2-ylmethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3221352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).