(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C18H18FN5OS — CID 9462531

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2C)cc1F
InChIInChI=1S/C18H18FN5OS/c1-11-8-9-14(10-15(11)19)20-17(25)13(3)26-18-21-22-23-24(18)16-7-5-4-6-12(16)2/h4-10,13H,1-3H3,(H,20,25)/t13-/m0/s1
InChIKeyOWSBKYIVKFFGFE-ZDUSSCGKSA-N
MW371.44 g/mol
LogP3.54
Rot. Bonds5

About (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 9462531) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID9462531
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2C)cc1F
InChIInChI=1S/C18H18FN5OS/c1-11-8-9-14(10-15(11)19)20-17(25)13(3)26-18-21-22-23-24(18)16-7-5-4-6-12(16)2/h4-10,13H,1-3H3,(H,20,25)/t13-/m0/s1
InChIKeyOWSBKYIVKFFGFE-ZDUSSCGKSA-N
XLogP3.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646697
(2R)-N-(2-fluorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646698
N-(3-chlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508638
(2S)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646114
N-(4-acetylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508636
(2R)-N-(3,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646116
N-(4-tert-butylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16508705
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7877974
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 7877912
(2S)-N-(2,5-dichlorophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7646712
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 51184636
(2S)-N-(2,6-difluorophenyl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9494023

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 9462531) is (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2C)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is OWSBKYIVKFFGFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-11-8-9-14(10-15(11)19)20-17(25)13(3)26-18-21-22-23-24(18)16-7-5-4-6-12(16)2/h4-10,13H,1-3H3,(H,20,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 9462531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).