N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide

C14H19N5O4S2 — CID 18225779

IUPACN-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N5O4S2/c1-2-6-17(11-5-8-25(22,23)10-11)12(20)9-18-14(21)19(16-15-18)13-4-3-7-24-13/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyUELNTJWHFFMMJR-UHFFFAOYSA-N
MW385.47 g/mol
LogP-0.08
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide (PubChem CID 18225779) has the molecular formula C14H19N5O4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide
PubChem CID18225779
Molecular FormulaC14H19N5O4S2
Molecular Weight385.47 g/mol
Exact Mass385.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N5O4S2/c1-2-6-17(11-5-8-25(22,23)10-11)12(20)9-18-14(21)19(16-15-18)13-4-3-7-24-13/h3-4,7,11H,2,5-6,8-10H2,1H3
InChIKeyUELNTJWHFFMMJR-UHFFFAOYSA-N
XLogP-0.08
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide (CID 18225779) is N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide is CCCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide?
The InChIKey is UELNTJWHFFMMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S2/c1-2-6-17(11-5-8-25(22,23)10-11)12(20)9-18-14(21)19(16-15-18)13-4-3-7-24-13/h3-4,7,11H,2,5-6,8-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide has a molecular weight of 385.47 g/mol, XLogP of -0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 18225779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).