N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H16FN5OS — CID 5001516

IUPACN-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C17H16FN5OS/c1-11-5-3-4-6-15(11)23-17(20-21-22-23)25-10-16(24)19-14-8-7-13(18)9-12(14)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyYOAYZJKFOYPYMR-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.15
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 5001516) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID5001516
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C17H16FN5OS/c1-11-5-3-4-6-15(11)23-17(20-21-22-23)25-10-16(24)19-14-8-7-13(18)9-12(14)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyYOAYZJKFOYPYMR-UHFFFAOYSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl] thiocyanate
CID 7647104
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-(2,6-dibromo-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388271
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
N-(2-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2714902
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
N-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 8686229
N-(2,5-difluorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11552839

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 5001516) is N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cc(F)ccc1NC(=O)CSc1nnnn1-c1ccccc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YOAYZJKFOYPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-11-5-3-4-6-15(11)23-17(20-21-22-23)25-10-16(24)19-14-8-7-13(18)9-12(14)2/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 357.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 5001516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).