2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide

C16H20N6O2S — CID 1455226

IUPAC2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N6O2S/c1-11(23)17-13-6-8-14(9-7-13)22-16(19-20-21-22)25-10-15(24)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyDKUIODGGAZFBAR-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.77
Rot. Bonds6

About 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 1455226) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID1455226
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N6O2S/c1-11(23)17-13-6-8-14(9-7-13)22-16(19-20-21-22)25-10-15(24)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyDKUIODGGAZFBAR-UHFFFAOYSA-N
XLogP1.77
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-{3-[2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 645548
N-(3-Acetylamino-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647370
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide (CID 1455226) is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide is CC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is DKUIODGGAZFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-11(23)17-13-6-8-14(9-7-13)22-16(19-20-21-22)25-10-15(24)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,23)(H,18,24).
What are the key properties of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 1455226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).