N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C15H19N5O2S — CID 859382

IUPACN-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H19N5O2S/c1-22-13-8-4-7-12(9-13)20-15(17-18-19-20)23-10-14(21)16-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,16,21)
InChIKeyVJTUGADPVMVQEB-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.82
Rot. Bonds6

About N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859382) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859382
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H19N5O2S/c1-22-13-8-4-7-12(9-13)20-15(17-18-19-20)23-10-14(21)16-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,16,21)
InChIKeyVJTUGADPVMVQEB-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-Benzo[1,3]dioxol-5-yl-2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647456
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
N-Benzo[1,3]dioxol-5-yl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655678
N-(3,5-Dimethoxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655782
N-(2-methoxyphenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1075013

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 859382) is N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is VJTUGADPVMVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-22-13-8-4-7-12(9-13)20-15(17-18-19-20)23-10-14(21)16-11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,16,21).
What are the key properties of N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 333.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).