N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C18H21N5O2S — CID 24601544

IUPACN,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnnn1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H21N5O2S/c1-3-22(4-2)17(24)16(14-9-6-5-7-10-14)26-18-19-20-21-23(18)13-15-11-8-12-25-15/h5-12,16H,3-4,13H2,1-2H3
InChIKeyISULTRSEQCKXGG-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.02
Rot. Bonds8

About N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 24601544) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID24601544
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Sc1nnnn1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H21N5O2S/c1-3-22(4-2)17(24)16(14-9-6-5-7-10-14)26-18-19-20-21-23(18)13-15-11-8-12-25-15/h5-12,16H,3-4,13H2,1-2H3
InChIKeyISULTRSEQCKXGG-UHFFFAOYSA-N
XLogP3.02
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 24520390
N,N-diethyl-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 51209016
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140830
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
CID 17431271
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
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 18140670
butyl 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47138505
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 24601610
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
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 N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 24601544) is N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is CCN(CC)C(=O)C(Sc1nnnn1Cc1ccco1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is ISULTRSEQCKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-3-22(4-2)17(24)16(14-9-6-5-7-10-14)26-18-19-20-21-23(18)13-15-11-8-12-25-15/h5-12,16H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 371.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 24601544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).