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

C15H23N5O2S — CID 18140834

IUPAC2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C15H23N5O2S/c1-11(2)6-7-12(3)16-14(21)10-23-15-17-18-19-20(15)9-13-5-4-8-22-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,16,21)
InChIKeyQIHPOHHKVVHKTN-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.35
Rot. Bonds9

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

2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide (PubChem CID 18140834) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
PubChem CID18140834
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CSc1nnnn1Cc1ccco1
InChIInChI=1S/C15H23N5O2S/c1-11(2)6-7-12(3)16-14(21)10-23-15-17-18-19-20(15)9-13-5-4-8-22-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,16,21)
InChIKeyQIHPOHHKVVHKTN-UHFFFAOYSA-N
XLogP2.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46694179
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 18140670
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-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 18140848
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 43040807
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42886414
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140664
N-[(4-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide (CID 18140834) is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)CSc1nnnn1Cc1ccco1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is QIHPOHHKVVHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-11(2)6-7-12(3)16-14(21)10-23-15-17-18-19-20(15)9-13-5-4-8-22-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,16,21).
What are the key properties of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide?
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 18140834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).