N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H21N5O3S — CID 1175620

IUPACN-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C16H21N5O3S/c1-23-13-8-7-12(9-14(13)24-2)21-16(18-19-20-21)25-10-15(22)17-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyFUIVBYCWZNLOGL-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.83
Rot. Bonds7

About N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1175620) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1175620
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C16H21N5O3S/c1-23-13-8-7-12(9-14(13)24-2)21-16(18-19-20-21)25-10-15(22)17-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyFUIVBYCWZNLOGL-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1175620) is N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is FUIVBYCWZNLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-23-13-8-7-12(9-14(13)24-2)21-16(18-19-20-21)25-10-15(22)17-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H,17,22).
What are the key properties of N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 363.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1175620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).