N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H13F2N5O2S — CID 1018265

IUPACN-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2N5O2S/c1-25-12-5-3-11(4-6-12)23-16(20-21-22-23)26-9-15(24)19-10-2-7-13(17)14(18)8-10/h2-8H,9H2,1H3,(H,19,24)
InChIKeyMUYOREWCKKWGOM-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.68
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1018265) has the molecular formula C16H13F2N5O2S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1018265
Molecular FormulaC16H13F2N5O2S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC NameN-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2N5O2S/c1-25-12-5-3-11(4-6-12)23-16(20-21-22-23)26-9-15(24)19-10-2-7-13(17)14(18)8-10/h2-8H,9H2,1H3,(H,19,24)
InChIKeyMUYOREWCKKWGOM-UHFFFAOYSA-N
XLogP2.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1018265) is N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is MUYOREWCKKWGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2S/c1-25-12-5-3-11(4-6-12)23-16(20-21-22-23)26-9-15(24)19-10-2-7-13(17)14(18)8-10/h2-8H,9H2,1H3,(H,19,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 377.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1018265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).