N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide

C16H16N6O4S — CID 1147166

IUPACN'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H16N6O4S/c1-2-25-12-7-5-11(6-8-12)22-16(19-20-21-22)27-10-14(23)17-18-15(24)13-4-3-9-26-13/h3-9H,2,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyYREIWDNNPZTSFA-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.21
Rot. Bonds7

About N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide

N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1147166) has the molecular formula C16H16N6O4S and a molecular weight of 388.41 g/mol. Its IUPAC name is N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1147166
Molecular FormulaC16H16N6O4S
Molecular Weight388.41 g/mol
Exact Mass388.10
IUPAC NameN'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H16N6O4S/c1-2-25-12-7-5-11(6-8-12)22-16(19-20-21-22)27-10-14(23)17-18-15(24)13-4-3-9-26-13/h3-9H,2,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyYREIWDNNPZTSFA-UHFFFAOYSA-N
XLogP1.21
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
1-(Furan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2336427
Furan-2-carboxylic acid N'-{2-[1-(2,4-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 1452271
N'-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1452274
Furan-2-carboxylic acid N'-{2-[1-(4-ethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 3212961
N-[4-[5-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyltetrazol-1-yl]phenyl]propanamide
CID 3212991
N'-[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 1440799
Furan-2-carboxylic acid N'-{2-[1-(3,4-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 1452275
Furan-2-carboxylic acid {3-[2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 1454952
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2336321
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2613931
Furan-2-carboxylic acid N'-{2-[1-(4-acetyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetyl}-hydrazide
CID 3212989

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide (CID 1147166) is N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is CCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is YREIWDNNPZTSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S/c1-2-25-12-7-5-11(6-8-12)22-16(19-20-21-22)27-10-14(23)17-18-15(24)13-4-3-9-26-13/h3-9H,2,10H2,1H3,(H,17,23)(H,18,24).
What are the key properties of N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 388.41 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1147166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).