N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C14H17N3O4S3 — CID 3900180

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(-c2cccs2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O4S3/c1-2-17(10-5-7-24(19,20)9-10)12(18)8-23-14-16-15-13(21-14)11-4-3-6-22-11/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyLBQMNZSJCWTHMB-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.93
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3900180) has the molecular formula C14H17N3O4S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3900180
Molecular FormulaC14H17N3O4S3
Molecular Weight387.51 g/mol
Exact Mass387.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc(-c2cccs2)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O4S3/c1-2-17(10-5-7-24(19,20)9-10)12(18)8-23-14-16-15-13(21-14)11-4-3-6-22-11/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyLBQMNZSJCWTHMB-UHFFFAOYSA-N
XLogP1.93
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3900180) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nnc(-c2cccs2)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LBQMNZSJCWTHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S3/c1-2-17(10-5-7-24(19,20)9-10)12(18)8-23-14-16-15-13(21-14)11-4-3-6-22-11/h3-4,6,10H,2,5,7-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3900180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).