N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide

C16H19N5O2S — CID 3228989

IUPACN-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H19N5O2S/c1-11(22)17-13-8-6-12(7-9-13)15(23)10-24-16-18-19-20-21(16)14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,17,22)
InChIKeyUQGNOLXRTZGVSX-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.72
Rot. Bonds6

About N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide

N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 3228989) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID3228989
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H19N5O2S/c1-11(22)17-13-8-6-12(7-9-13)15(23)10-24-16-18-19-20-21(16)14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,17,22)
InChIKeyUQGNOLXRTZGVSX-UHFFFAOYSA-N
XLogP2.72
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide (CID 3228989) is N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnnn2C2CCCC2)cc1.
What is the InChIKey of N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is UQGNOLXRTZGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11(22)17-13-8-6-12(7-9-13)15(23)10-24-16-18-19-20-21(16)14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,17,22).
What are the key properties of N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 345.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 3228989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).