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

C20H14FN3O2S2 — CID 7824763

IUPAC(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1
InChIInChI=1S/C20H14FN3O2S2/c21-14-8-10-15(11-9-14)22-18(25)17(13-5-2-1-3-6-13)28-20-24-23-19(26-20)16-7-4-12-27-16/h1-12,17H,(H,22,25)/t17-/m1/s1
InChIKeyRMRQAMMAHSSBAY-QGZVFWFLSA-N
MW411.48 g/mol
LogP5.41
Rot. Bonds6

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

(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7824763) has the molecular formula C20H14FN3O2S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID7824763
Molecular FormulaC20H14FN3O2S2
Molecular Weight411.48 g/mol
Exact Mass411.05
IUPAC Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1
InChIInChI=1S/C20H14FN3O2S2/c21-14-8-10-15(11-9-14)22-18(25)17(13-5-2-1-3-6-13)28-20-24-23-19(26-20)16-7-4-12-27-16/h1-12,17H,(H,22,25)/t17-/m1/s1
InChIKeyRMRQAMMAHSSBAY-QGZVFWFLSA-N
XLogP5.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 18122417
N-(4-fluorophenyl)-2-phenyl-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786651
N-[1-(4-fluorophenyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78765310
(2S)-N-(4-fluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41141675
(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 40616881
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 17392616
(2R)-N-(4-fluorophenyl)-2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 25351299
(2R)-N-(4-fluorophenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889230
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanehydrazide
CID 63591351
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
(2S)-N-(2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592979
(2R)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7981748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7824763) is (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RMRQAMMAHSSBAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14FN3O2S2/c21-14-8-10-15(11-9-14)22-18(25)17(13-5-2-1-3-6-13)28-20-24-23-19(26-20)16-7-4-12-27-16/h1-12,17H,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7824763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).