1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one

C14H15N5O3S — CID 24818352

IUPAC1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESCOc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C14H15N5O3S/c1-22-11-6-3-2-5-10(11)19-14(15-16-17-19)23-9-13(21)18-8-4-7-12(18)20/h2-3,5-6H,4,7-9H2,1H3
InChIKeyAWVVCZWQGXJMOL-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one

1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (PubChem CID 24818352) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
PubChem CID24818352
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC Name1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESCOc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C14H15N5O3S/c1-22-11-6-3-2-5-10(11)19-14(15-16-17-19)23-9-13(21)18-8-4-7-12(18)20/h2-3,5-6H,4,7-9H2,1H3
InChIKeyAWVVCZWQGXJMOL-UHFFFAOYSA-N
XLogP0.91
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
2-[[4-(2-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2116064
3-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2945197
2-[1-(2,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 652400
N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 665963
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 859708
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
N-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2292924
1-[2-[[5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone
CID 2611539
1-(4-ethoxyphenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927213

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (CID 24818352) is 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is COc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O.
What is the InChIKey of 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is AWVVCZWQGXJMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-22-11-6-3-2-5-10(11)19-14(15-16-17-19)23-9-13(21)18-8-4-7-12(18)20/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 333.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 24818352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).