2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

C21H18FN5O2S — CID 39814062

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H18FN5O2S/c1-29-18-10-8-17(9-11-18)26(13-19-3-2-12-30-19)20(28)14-27-24-21(23-25-27)15-4-6-16(22)7-5-15/h2-12H,13-14H2,1H3
InChIKeyNWHVGFVTOVPVSX-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.78
Rot. Bonds7

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39814062) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39814062
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H18FN5O2S/c1-29-18-10-8-17(9-11-18)26(13-19-3-2-12-30-19)20(28)14-27-24-21(23-25-27)15-4-6-16(22)7-5-15/h2-12H,13-14H2,1H3
InChIKeyNWHVGFVTOVPVSX-UHFFFAOYSA-N
XLogP3.78
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646380
Thiophene-2-carboxylic acid (2-{2-[(4-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651595
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide
CID 1081809
1-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646274
2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1045899
N-(4-methoxyphenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719163
N-Cyclopentylcarbamoylmethyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-(4-methoxy-phenyl)-acetamide
CID 3179793
N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
CID 177372542
N-(4-fluorophenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
CID 177372543
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-methylacetamide
CID 177372544
N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
CID 177372546
N-benzyl-2-(2-methoxy-N-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]anilino)butanamide
CID 3190188

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 39814062) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NWHVGFVTOVPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-29-18-10-8-17(9-11-18)26(13-19-3-2-12-30-19)20(28)14-27-24-21(23-25-27)15-4-6-16(22)7-5-15/h2-12H,13-14H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39814062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).