N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C16H22FN5OS — CID 51287408

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)C(NC(=O)CSc1nnnn1C(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H22FN5OS/c1-10(2)15(12-5-7-13(17)8-6-12)18-14(23)9-24-16-19-20-21-22(16)11(3)4/h5-8,10-11,15H,9H2,1-4H3,(H,18,23)
InChIKeyZTCZZLDJRHARRE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.00
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 51287408) has the molecular formula C16H22FN5OS and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID51287408
Molecular FormulaC16H22FN5OS
Molecular Weight351.45 g/mol
Exact Mass351.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)C(NC(=O)CSc1nnnn1C(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H22FN5OS/c1-10(2)15(12-5-7-13(17)8-6-12)18-14(23)9-24-16-19-20-21-22(16)11(3)4/h5-8,10-11,15H,9H2,1-4H3,(H,18,23)
InChIKeyZTCZZLDJRHARRE-UHFFFAOYSA-N
XLogP3.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 46672088
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 42887843
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51287047
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46672881
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46677059
N-(5-chloro-2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17413017
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 24523212
N-[2-(2,6-difluorophenyl)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 87019140
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46672571
N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38131882

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 51287408) is N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)C(NC(=O)CSc1nnnn1C(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZTCZZLDJRHARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5OS/c1-10(2)15(12-5-7-13(17)8-6-12)18-14(23)9-24-16-19-20-21-22(16)11(3)4/h5-8,10-11,15H,9H2,1-4H3,(H,18,23).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 351.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 51287408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).