N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide

C17H18FN5OS2 — CID 24574276

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1nnnn1CCc1cccs1
InChIInChI=1S/C17H18FN5OS2/c1-22(11-13-5-2-3-7-15(13)18)16(24)12-26-17-19-20-21-23(17)9-8-14-6-4-10-25-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyWDCYRSWDLRCOLW-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.87
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 24574276) has the molecular formula C17H18FN5OS2 and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID24574276
Molecular FormulaC17H18FN5OS2
Molecular Weight391.50 g/mol
Exact Mass391.09
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1nnnn1CCc1cccs1
InChIInChI=1S/C17H18FN5OS2/c1-22(11-13-5-2-3-7-15(13)18)16(24)12-26-17-19-20-21-23(17)9-8-14-6-4-10-25-14/h2-7,10H,8-9,11-12H2,1H3
InChIKeyWDCYRSWDLRCOLW-UHFFFAOYSA-N
XLogP2.87
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide (CID 24574276) is N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide is CN(Cc1ccccc1F)C(=O)CSc1nnnn1CCc1cccs1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is WDCYRSWDLRCOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS2/c1-22(11-13-5-2-3-7-15(13)18)16(24)12-26-17-19-20-21-23(17)9-8-14-6-4-10-25-14/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 391.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 24574276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).