(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide

C19H20FN5OS — CID 8997445

IUPAC(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H20FN5OS/c1-12(2)14-7-9-17(10-8-14)25-19(22-23-24-25)27-13(3)18(26)21-16-6-4-5-15(20)11-16/h4-13H,1-3H3,(H,21,26)/t13-/m1/s1
InChIKeyBFIAPXIFOLIOMH-CYBMUJFWSA-N
MW385.47 g/mol
LogP4.04
Rot. Bonds6

About (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide

(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 8997445) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID8997445
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C19H20FN5OS/c1-12(2)14-7-9-17(10-8-14)25-19(22-23-24-25)27-13(3)18(26)21-16-6-4-5-15(20)11-16/h4-13H,1-3H3,(H,21,26)/t13-/m1/s1
InChIKeyBFIAPXIFOLIOMH-CYBMUJFWSA-N
XLogP4.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
N-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18193854
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7802002
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
N-(3,4-difluorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500453
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 8859040
(2S)-N-(3-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7473969
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2S)-N-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464728
(2S)-N-naphthalen-1-yl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7561558

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 8997445) is (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide is CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is BFIAPXIFOLIOMH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-12(2)14-7-9-17(10-8-14)25-19(22-23-24-25)27-13(3)18(26)21-16-6-4-5-15(20)11-16/h4-13H,1-3H3,(H,21,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 385.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 8997445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).