(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide

C22H19N3O4S — CID 40846770

IUPAC(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1
InChIInChI=1S/C22H19N3O4S/c1-2-27-17-12-7-6-11-16(17)23-20(26)19(15-9-4-3-5-10-15)30-22-25-24-21(29-22)18-13-8-14-28-18/h3-14,19H,2H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyNAWAXQSPUSTWHD-LJQANCHMSA-N
MW421.48 g/mol
LogP5.20
Rot. Bonds8

About (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide

(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (PubChem CID 40846770) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
PubChem CID40846770
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1
InChIInChI=1S/C22H19N3O4S/c1-2-27-17-12-7-6-11-16(17)23-20(26)19(15-9-4-3-5-10-15)30-22-25-24-21(29-22)18-13-8-14-28-18/h3-14,19H,2H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyNAWAXQSPUSTWHD-LJQANCHMSA-N
XLogP5.20
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide with MolForge

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Related Compounds

N-(2-ethoxyphenyl)-2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3714253
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7464564
(2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 41293002
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 17475511
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
CID 56583498
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437
(2S)-2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 40833893
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 9382625
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide (CID 40846770) is (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
The InChIKey is NAWAXQSPUSTWHD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-2-27-17-12-7-6-11-16(17)23-20(26)19(15-9-4-3-5-10-15)30-22-25-24-21(29-22)18-13-8-14-28-18/h3-14,19H,2H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide?
(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide has a molecular weight of 421.48 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 40846770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).