2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

C15H19N5O2S — CID 1383750

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C15H19N5O2S/c1-22-13-9-5-4-8-12(13)16-14(21)10-23-15-17-18-19-20(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,21)
InChIKeyFIVAHCRCPFYXQC-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.53
Rot. Bonds6

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 1383750) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID1383750
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C15H19N5O2S/c1-22-13-9-5-4-8-12(13)16-14(21)10-23-15-17-18-19-20(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,21)
InChIKeyFIVAHCRCPFYXQC-UHFFFAOYSA-N
XLogP2.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 1383750) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is FIVAHCRCPFYXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-22-13-9-5-4-8-12(13)16-14(21)10-23-15-17-18-19-20(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,21).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 333.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 1383750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).