N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

C14H15ClFN5OS — CID 51244889

IUPACN-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFN5OS/c15-9-5-6-11(16)12(7-9)17-13(22)8-23-14-18-19-20-21(14)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,22)
InChIKeyXBZUYISDYYKVAQ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.31
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 51244889) has the molecular formula C14H15ClFN5OS and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID51244889
Molecular FormulaC14H15ClFN5OS
Molecular Weight355.83 g/mol
Exact Mass355.07
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H15ClFN5OS/c15-9-5-6-11(16)12(7-9)17-13(22)8-23-14-18-19-20-21(14)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,22)
InChIKeyXBZUYISDYYKVAQ-UHFFFAOYSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094013
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 56536012
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 18098917
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
N-(5-chloro-2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17413017
4-chloro-N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 27047554
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
N-(5-chloro-2-fluorophenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7666135
methyl 3-[[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]amino]naphthalene-2-carboxylate
CID 56535103
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 51244889) is N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCC1)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XBZUYISDYYKVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5OS/c15-9-5-6-11(16)12(7-9)17-13(22)8-23-14-18-19-20-21(14)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,22).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 355.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 51244889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).