2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C22H19FN6O2S2 — CID 46572506

IUPAC2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NC(c2ccc(F)cc2)c2cccs2)c1
InChIInChI=1S/C22H19FN6O2S2/c1-14(30)24-17-4-2-5-18(12-17)29-22(26-27-28-29)33-13-20(31)25-21(19-6-3-11-32-19)15-7-9-16(23)10-8-15/h2-12,21H,13H2,1H3,(H,24,30)(H,25,31)
InChIKeyAYOLWFSUQZRWKE-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.82
Rot. Bonds8

About 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 46572506) has the molecular formula C22H19FN6O2S2 and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID46572506
Molecular FormulaC22H19FN6O2S2
Molecular Weight482.57 g/mol
Exact Mass482.10
IUPAC Name2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NC(c2ccc(F)cc2)c2cccs2)c1
InChIInChI=1S/C22H19FN6O2S2/c1-14(30)24-17-4-2-5-18(12-17)29-22(26-27-28-29)33-13-20(31)25-21(19-6-3-11-32-19)15-7-9-16(23)10-8-15/h2-12,21H,13H2,1H3,(H,24,30)(H,25,31)
InChIKeyAYOLWFSUQZRWKE-UHFFFAOYSA-N
XLogP3.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 46572506) is 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCC(=O)NC(c2ccc(F)cc2)c2cccs2)c1.
What is the InChIKey of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is AYOLWFSUQZRWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2S2/c1-14(30)24-17-4-2-5-18(12-17)29-22(26-27-28-29)33-13-20(31)25-21(19-6-3-11-32-19)15-7-9-16(23)10-8-15/h2-12,21H,13H2,1H3,(H,24,30)(H,25,31).
What are the key properties of 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 482.57 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 46572506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).