N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C16H14N6O2S — CID 647106

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C
InChIInChI=1S/C16H14N6O2S/c1-10-11(2)25-16(14(10)7-17)19-15(23)8-24-13-5-3-4-12(6-13)22-9-18-20-21-22/h3-6,9H,8H2,1-2H3,(H,19,23)
InChIKeyZJVOUPVCIKTEEW-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.23
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 647106) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID647106
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C
InChIInChI=1S/C16H14N6O2S/c1-10-11(2)25-16(14(10)7-17)19-15(23)8-24-13-5-3-4-12(6-13)22-9-18-20-21-22/h3-6,9H,8H2,1-2H3,(H,19,23)
InChIKeyZJVOUPVCIKTEEW-UHFFFAOYSA-N
XLogP2.23
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 647106) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is Cc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is ZJVOUPVCIKTEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-10-11(2)25-16(14(10)7-17)19-15(23)8-24-13-5-3-4-12(6-13)22-9-18-20-21-22/h3-6,9H,8H2,1-2H3,(H,19,23).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 354.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 647106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).