N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C14H17N3O4S2 — CID 167767867

IUPACN-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cc3c(s2)CCS(=O)(=O)C3)n1
InChIInChI=1S/C14H17N3O4S2/c1-8(18)16-14(2,3)13-15-12(21-17-13)11-6-9-7-23(19,20)5-4-10(9)22-11/h6H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyJDFDSXHUJFXAKA-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.64
Rot. Bonds3

About N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 167767867) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID167767867
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cc3c(s2)CCS(=O)(=O)C3)n1
InChIInChI=1S/C14H17N3O4S2/c1-8(18)16-14(2,3)13-15-12(21-17-13)11-6-9-7-23(19,20)5-4-10(9)22-11/h6H,4-5,7H2,1-3H3,(H,16,18)
InChIKeyJDFDSXHUJFXAKA-UHFFFAOYSA-N
XLogP1.64
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 167767867) is N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2cc3c(s2)CCS(=O)(=O)C3)n1.
What is the InChIKey of N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is JDFDSXHUJFXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-8(18)16-14(2,3)13-15-12(21-17-13)11-6-9-7-23(19,20)5-4-10(9)22-11/h6H,4-5,7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 167767867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).