2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

C18H18FN5OS — CID 17479763

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Sc1nnnn1Cc1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN5OS/c1-13(17(25)20-11-14-7-9-16(19)10-8-14)26-18-21-22-23-24(18)12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,25)
InChIKeyASKOILUQGXTLSY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.66
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 17479763) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID17479763
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(Sc1nnnn1Cc1ccccc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H18FN5OS/c1-13(17(25)20-11-14-7-9-16(19)10-8-14)26-18-21-22-23-24(18)12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,25)
InChIKeyASKOILUQGXTLSY-UHFFFAOYSA-N
XLogP2.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
CID 562108
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
N-benzyl-2-[(4-ethyl-5-{[(4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1022006
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2096429
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
N-(4-fluorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
CID 4717875
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875437
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 9439245
1-[2-(3-fluorophenyl)ethyl]-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-6-oxo-3-piperidinecarboxamide
CID 24793025
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 9505208
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide (CID 17479763) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide is CC(Sc1nnnn1Cc1ccccc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is ASKOILUQGXTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-13(17(25)20-11-14-7-9-16(19)10-8-14)26-18-21-22-23-24(18)12-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,25).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 371.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 17479763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).