N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C20H16FN5O3S — CID 18131472

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FN5O3S/c21-15-5-9-17(10-6-15)29-16-7-3-14(4-8-16)12-22-18(27)13-25-20(28)26(24-23-25)19-2-1-11-30-19/h1-11H,12-13H2,(H,22,27)
InChIKeyZOGSMEFPRPDBRY-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.74
Rot. Bonds7

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 18131472) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID18131472
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FN5O3S/c21-15-5-9-17(10-6-15)29-16-7-3-14(4-8-16)12-22-18(27)13-25-20(28)26(24-23-25)19-2-1-11-30-19/h1-11H,12-13H2,(H,22,27)
InChIKeyZOGSMEFPRPDBRY-UHFFFAOYSA-N
XLogP2.74
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
N-[(4-fluorophenyl)methyl]-5-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30862654
N-(2-bromo-4,6-difluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 39019473
(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium
CID 9241476
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 134025159
N-(1-methylpyrazol-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131426
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24591958
1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 46516980
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 95801911
N-(2,5-dichlorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17478619
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 18131241

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 18131472) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is ZOGSMEFPRPDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c21-15-5-9-17(10-6-15)29-16-7-3-14(4-8-16)12-22-18(27)13-25-20(28)26(24-23-25)19-2-1-11-30-19/h1-11H,12-13H2,(H,22,27).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 425.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 18131472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).