N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide

C21H24FN5O2S — CID 46672088

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2nnnc2SCC(=O)NC(c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C21H24FN5O2S/c1-14(2)20(16-6-8-17(22)9-7-16)23-19(28)13-30-21-24-25-26-27(21)12-15-4-10-18(29-3)11-5-15/h4-11,14,20H,12-13H2,1-3H3,(H,23,28)
InChIKeyUONDZMBCOYNDOO-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.47
Rot. Bonds9

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 46672088) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID46672088
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2nnnc2SCC(=O)NC(c2ccc(F)cc2)C(C)C)cc1
InChIInChI=1S/C21H24FN5O2S/c1-14(2)20(16-6-8-17(22)9-7-16)23-19(28)13-30-21-24-25-26-27(21)12-15-4-10-18(29-3)11-5-15/h4-11,14,20H,12-13H2,1-3H3,(H,23,28)
InChIKeyUONDZMBCOYNDOO-UHFFFAOYSA-N
XLogP3.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 27091861
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682684
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46677059
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 51287408
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 42884380
4-chloro-N'-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetyl]benzohydrazide
CID 26387767
N-(2,5-dichlorophenyl)-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 55432186
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 24519850
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 51244716
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 26387761
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 42887843
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51287944

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide (CID 46672088) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide is COc1ccc(Cn2nnnc2SCC(=O)NC(c2ccc(F)cc2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UONDZMBCOYNDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/c1-14(2)20(16-6-8-17(22)9-7-16)23-19(28)13-30-21-24-25-26-27(21)12-15-4-10-18(29-3)11-5-15/h4-11,14,20H,12-13H2,1-3H3,(H,23,28).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 429.52 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 46672088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).