N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C16H16FN5OS2 — CID 24522394

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CSc1nnnn1Cc1cccs1
InChIInChI=1S/C16H16FN5OS2/c1-21(9-12-4-6-13(17)7-5-12)15(23)11-25-16-18-19-20-22(16)10-14-3-2-8-24-14/h2-8H,9-11H2,1H3
InChIKeyNJRQROMVHGKPRM-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.67
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 24522394) has the molecular formula C16H16FN5OS2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID24522394
Molecular FormulaC16H16FN5OS2
Molecular Weight377.47 g/mol
Exact Mass377.08
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CSc1nnnn1Cc1cccs1
InChIInChI=1S/C16H16FN5OS2/c1-21(9-12-4-6-13(17)7-5-12)15(23)11-25-16-18-19-20-22(16)10-14-3-2-8-24-14/h2-8H,9-11H2,1H3
InChIKeyNJRQROMVHGKPRM-UHFFFAOYSA-N
XLogP2.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 24522394) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is CN(Cc1ccc(F)cc1)C(=O)CSc1nnnn1Cc1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is NJRQROMVHGKPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS2/c1-21(9-12-4-6-13(17)7-5-12)15(23)11-25-16-18-19-20-22(16)10-14-3-2-8-24-14/h2-8H,9-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 24522394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).