N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide

C18H17N3O5S2 — CID 41132200

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17N3O5S2/c22-16(11-20-18(23)26-17(19-20)15-7-4-9-27-15)21(13-5-2-1-3-6-13)14-8-10-28(24,25)12-14/h1-7,9,14H,8,10-12H2/t14-/m1/s1
InChIKeyISAYMNKALKNLIO-CQSZACIVSA-N
MW419.48 g/mol
LogP1.79
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide (PubChem CID 41132200) has the molecular formula C18H17N3O5S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide
PubChem CID41132200
Molecular FormulaC18H17N3O5S2
Molecular Weight419.48 g/mol
Exact Mass419.06
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide
SMILESO=C(Cn1nc(-c2cccs2)oc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17N3O5S2/c22-16(11-20-18(23)26-17(19-20)15-7-4-9-27-15)21(13-5-2-1-3-6-13)14-8-10-28(24,25)12-14/h1-7,9,14H,8,10-12H2/t14-/m1/s1
InChIKeyISAYMNKALKNLIO-CQSZACIVSA-N
XLogP1.79
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38136010
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798844
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38136081
N'-[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl]-N-(2-thiophen-2-ylethyl)oxamide
CID 25470349
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 124785451
N-(oxan-4-yl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 60556897
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 40846749
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
CID 26566443
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 43037168
2-benzylsulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7377168
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 38135958
N-(1,1-dioxothiolan-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 78492153

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide (CID 41132200) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide is O=C(Cn1nc(-c2cccs2)oc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide?
The InChIKey is ISAYMNKALKNLIO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O5S2/c22-16(11-20-18(23)26-17(19-20)15-7-4-9-27-15)21(13-5-2-1-3-6-13)14-8-10-28(24,25)12-14/h1-7,9,14H,8,10-12H2/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide has a molecular weight of 419.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 41132200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).