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

C15H17N5O3S — CID 2097448

IUPAC1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C15H17N5O3S/c1-2-23-12-7-4-3-6-11(12)20-15(16-17-18-20)24-10-14(22)19-9-5-8-13(19)21/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyFKPWJAIBYCVXIV-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.30
Rot. Bonds6

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

1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (PubChem CID 2097448) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
PubChem CID2097448
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O
InChIInChI=1S/C15H17N5O3S/c1-2-23-12-7-4-3-6-11(12)20-15(16-17-18-20)24-10-14(22)19-9-5-8-13(19)21/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyFKPWJAIBYCVXIV-UHFFFAOYSA-N
XLogP1.30
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
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
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
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
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
N-(2-butoxyphenyl)-2-[(1-tert-butyl-1H-tetrazol-5-yl)thio]acetamide
CID 3240376
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 24686441
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 25163299

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (CID 2097448) is 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is CCOc1ccccc1-n1nnnc1SCC(=O)N1CCCC1=O.
What is the InChIKey of 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is FKPWJAIBYCVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-2-23-12-7-4-3-6-11(12)20-15(16-17-18-20)24-10-14(22)19-9-5-8-13(19)21/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 347.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 2097448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).