N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide

C19H20FN5OS — CID 8804407

IUPACN-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2nnnc2SCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H20FN5OS/c1-13(2)14-7-9-16(10-8-14)25-19(22-23-24-25)27-12-18(26)21-11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,26)
InChIKeyRIIXSHVTTAPNLW-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.33
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 8804407) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID8804407
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCC(C)c1ccc(-n2nnnc2SCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H20FN5OS/c1-13(2)14-7-9-16(10-8-14)25-19(22-23-24-25)27-12-18(26)21-11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,26)
InChIKeyRIIXSHVTTAPNLW-UHFFFAOYSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561413
N-[(2-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9231138
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 7561500
2-[[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]methyl]benzoic acid
CID 1308859
N-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7713576
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-(2-acetylphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561491
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8804398
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2610379
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 30999700
tert-butyl-[3-[[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]propyl]azanium
CID 8804385

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 8804407) is N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is CC(C)c1ccc(-n2nnnc2SCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RIIXSHVTTAPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-13(2)14-7-9-16(10-8-14)25-19(22-23-24-25)27-12-18(26)21-11-15-5-3-4-6-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 385.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 8804407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).