2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

C15H13FN6O3S — CID 7562940

IUPAC2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H13FN6O3S/c16-10-3-1-4-11(7-10)22-15(19-20-21-22)26-9-13(23)18-14(24)17-8-12-5-2-6-25-12/h1-7H,8-9H2,(H2,17,18,23,24)
InChIKeyPQFMKEWCBKTVQS-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 7562940) has the molecular formula C15H13FN6O3S and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID7562940
Molecular FormulaC15H13FN6O3S
Molecular Weight376.37 g/mol
Exact Mass376.08
IUPAC Name2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)NC(=O)NCc1ccco1
InChIInChI=1S/C15H13FN6O3S/c16-10-3-1-4-11(7-10)22-15(19-20-21-22)26-9-13(23)18-14(24)17-8-12-5-2-6-25-12/h1-7H,8-9H2,(H2,17,18,23,24)
InChIKeyPQFMKEWCBKTVQS-UHFFFAOYSA-N
XLogP1.51
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 858459
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-propylpropanamide
CID 17407700
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 6491269
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 30823180
[(1S)-2-[[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium
CID 7562998
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1175435
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46677059
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8002425
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 7562940) is 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSc1nnnn1-c1cccc(F)c1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is PQFMKEWCBKTVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O3S/c16-10-3-1-4-11(7-10)22-15(19-20-21-22)26-9-13(23)18-14(24)17-8-12-5-2-6-25-12/h1-7H,8-9H2,(H2,17,18,23,24).
What are the key properties of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 376.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 7562940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).