2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide

C15H15N5O2S2 — CID 18140670

IUPAC2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C15H15N5O2S2/c1-23-13-7-3-2-6-12(13)16-14(21)10-24-15-17-18-19-20(15)9-11-5-4-8-22-11/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyBQBYKBUJFPROCN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.77
Rot. Bonds7

About 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide

2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 18140670) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
PubChem CID18140670
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C15H15N5O2S2/c1-23-13-7-3-2-6-12(13)16-14(21)10-24-15-17-18-19-20(15)9-11-5-4-8-22-11/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyBQBYKBUJFPROCN-UHFFFAOYSA-N
XLogP2.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 55498993
N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140664
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 24601610
N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 18140834
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
N-(2-ethyl-6-methylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42104009
N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-[(4-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693965
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 18140848

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide (CID 18140670) is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSc1nnnn1Cc1ccco1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is BQBYKBUJFPROCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-23-13-7-3-2-6-12(13)16-14(21)10-24-15-17-18-19-20(15)9-11-5-4-8-22-11/h2-8H,9-10H2,1H3,(H,16,21).
What are the key properties of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18140670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).