N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide

C14H11F2N5OS — CID 18565767

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N5OS/c15-11-4-3-9(6-12(11)16)21-13(18-19-20-21)8-17-14(22)7-10-2-1-5-23-10/h1-6H,7-8H2,(H,17,22)
InChIKeyQSLRWVBKDVQJMB-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.86
Rot. Bonds5

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 18565767) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID18565767
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N5OS/c15-11-4-3-9(6-12(11)16)21-13(18-19-20-21)8-17-14(22)7-10-2-1-5-23-10/h1-6H,7-8H2,(H,17,22)
InChIKeyQSLRWVBKDVQJMB-UHFFFAOYSA-N
XLogP1.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide (CID 18565767) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1nnnn1-c1ccc(F)c(F)c1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is QSLRWVBKDVQJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c15-11-4-3-9(6-12(11)16)21-13(18-19-20-21)8-17-14(22)7-10-2-1-5-23-10/h1-6H,7-8H2,(H,17,22).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 335.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 18565767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).