N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C16H14FN5OS — CID 46619617

IUPACN-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H14FN5OS/c1-11(15(23)18-13-7-5-6-12(17)10-13)24-16-19-20-21-22(16)14-8-3-2-4-9-14/h2-11H,1H3,(H,18,23)
InChIKeyMYWHOBWMBJPGRD-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.92
Rot. Bonds5

About N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 46619617) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID46619617
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H14FN5OS/c1-11(15(23)18-13-7-5-6-12(17)10-13)24-16-19-20-21-22(16)14-8-3-2-4-9-14/h2-11H,1H3,(H,18,23)
InChIKeyMYWHOBWMBJPGRD-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8997445
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7802002
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
N-(3,4-difluorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500453
(2S)-N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274422
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233864
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621201
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18193854

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 46619617) is N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is MYWHOBWMBJPGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-11(15(23)18-13-7-5-6-12(17)10-13)24-16-19-20-21-22(16)14-8-3-2-4-9-14/h2-11H,1H3,(H,18,23).
What are the key properties of N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 343.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 46619617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).