N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide

C19H19N5O2S — CID 42897826

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCc2ccccc21
InChIInChI=1S/C19H19N5O2S/c1-2-11-22(16-10-9-14-6-3-4-7-15(14)16)17(25)13-23-19(26)24(21-20-23)18-8-5-12-27-18/h2-8,12,16H,1,9-11,13H2
InChIKeyVFFFTQLPFWQHDB-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.19
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide (PubChem CID 42897826) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide
PubChem CID42897826
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCc2ccccc21
InChIInChI=1S/C19H19N5O2S/c1-2-11-22(16-10-9-14-6-3-4-7-15(14)16)17(25)13-23-19(26)24(21-20-23)18-8-5-12-27-18/h2-8,12,16H,1,9-11,13H2
InChIKeyVFFFTQLPFWQHDB-UHFFFAOYSA-N
XLogP2.19
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide (CID 42897826) is N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide is C=CCN(C(=O)Cn1nnn(-c2cccs2)c1=O)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is VFFFTQLPFWQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-2-11-22(16-10-9-14-6-3-4-7-15(14)16)17(25)13-23-19(26)24(21-20-23)18-8-5-12-27-18/h2-8,12,16H,1,9-11,13H2.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 381.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 42897826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).