2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C12H17N5O2S — CID 3212952

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C12H17N5O2S/c1-2-3-6-17-12(14-15-16-17)20-9-11(18)13-8-10-5-4-7-19-10/h4-5,7H,2-3,6,8-9H2,1H3,(H,13,18)
InChIKeyRODCHMIHGXMAKB-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.47
Rot. Bonds8

About 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 3212952) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID3212952
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1nnnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C12H17N5O2S/c1-2-3-6-17-12(14-15-16-17)20-9-11(18)13-8-10-5-4-7-19-10/h4-5,7H,2-3,6,8-9H2,1H3,(H,13,18)
InChIKeyRODCHMIHGXMAKB-UHFFFAOYSA-N
XLogP1.47
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 3212952) is 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCCCn1nnnc1SCC(=O)NCc1ccco1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RODCHMIHGXMAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-3-6-17-12(14-15-16-17)20-9-11(18)13-8-10-5-4-7-19-10/h4-5,7H,2-3,6,8-9H2,1H3,(H,13,18).
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 295.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3212952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).