N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C17H16FN5O2S — CID 7886837

IUPACN-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2S/c1-2-22(13-5-3-12(18)4-6-13)16(25)11-26-17-19-20-21-23(17)14-7-9-15(24)10-8-14/h3-10,24H,2,11H2,1H3
InChIKeyOJLQKEMODJDPHN-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.65
Rot. Bonds6

About N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7886837) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7886837
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2S/c1-2-22(13-5-3-12(18)4-6-13)16(25)11-26-17-19-20-21-23(17)14-7-9-15(24)10-8-14/h3-10,24H,2,11H2,1H3
InChIKeyOJLQKEMODJDPHN-UHFFFAOYSA-N
XLogP2.65
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7886837) is N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCN(C(=O)CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is OJLQKEMODJDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-2-22(13-5-3-12(18)4-6-13)16(25)11-26-17-19-20-21-23(17)14-7-9-15(24)10-8-14/h3-10,24H,2,11H2,1H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 373.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7886837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).