N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C21H20N4O2S2 — CID 27874379

IUPACN-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H20N4O2S2/c1-2-11-25(13-18-23-24-21(27-18)17-8-5-12-28-17)20(26)14-29-19-10-9-15-6-3-4-7-16(15)22-19/h3-10,12H,2,11,13-14H2,1H3
InChIKeyPXKNYSHDWBEGSD-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.88
Rot. Bonds8

About N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 27874379) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID27874379
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC NameN-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C21H20N4O2S2/c1-2-11-25(13-18-23-24-21(27-18)17-8-5-12-28-17)20(26)14-29-19-10-9-15-6-3-4-7-16(15)22-19/h3-10,12H,2,11,13-14H2,1H3
InChIKeyPXKNYSHDWBEGSD-UHFFFAOYSA-N
XLogP4.88
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

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CID 51318146
2-(2-methoxyphenyl)sulfanyl-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 60594041
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CID 24559077
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
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2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 56528740
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2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 55410072
[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl] 3,3-diphenylpropanoate
CID 16564460
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CID 9202493
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92786992
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2-(2-methylmorpholin-4-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 27874379) is N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is PXKNYSHDWBEGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-2-11-25(13-18-23-24-21(27-18)17-8-5-12-28-17)20(26)14-29-19-10-9-15-6-3-4-7-16(15)22-19/h3-10,12H,2,11,13-14H2,1H3.
What are the key properties of N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-quinolin-2-ylsulfanyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 27874379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).