2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

C16H21N5O3S — CID 3228985

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nnnn2C2CCCC2)cc(OC)c1
InChIInChI=1S/C16H21N5O3S/c1-23-13-7-11(8-14(9-13)24-2)17-15(22)10-25-16-18-19-20-21(16)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyGMQFBCJVANNIPL-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.54
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 3228985) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID3228985
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nnnn2C2CCCC2)cc(OC)c1
InChIInChI=1S/C16H21N5O3S/c1-23-13-7-11(8-14(9-13)24-2)17-15(22)10-25-16-18-19-20-21(16)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyGMQFBCJVANNIPL-UHFFFAOYSA-N
XLogP2.54
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (CID 3228985) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nnnn2C2CCCC2)cc(OC)c1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is GMQFBCJVANNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-23-13-7-11(8-14(9-13)24-2)17-15(22)10-25-16-18-19-20-21(16)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,22).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 3228985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).