(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide

C17H16FN5OS — CID 7802002

IUPAC(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cccc(F)c2)c1
InChIInChI=1S/C17H16FN5OS/c1-11-5-3-7-14(9-11)19-16(24)12(2)25-17-20-21-22-23(17)15-8-4-6-13(18)10-15/h3-10,12H,1-2H3,(H,19,24)/t12-/m1/s1
InChIKeySGMHTPCNVIHTQY-GFCCVEGCSA-N
MW357.41 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide

(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide (PubChem CID 7802002) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
PubChem CID7802002
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cccc(F)c2)c1
InChIInChI=1S/C17H16FN5OS/c1-11-5-3-7-14(9-11)19-16(24)12(2)25-17-20-21-22-23(17)15-8-4-6-13(18)10-15/h3-10,12H,1-2H3,(H,19,24)/t12-/m1/s1
InChIKeySGMHTPCNVIHTQY-GFCCVEGCSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
N-(3,4-difluorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500453
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
N-(4-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18776191
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
(2R)-N-(3-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8997445
(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7660959
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40794893
(2R)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464589
(2S)-N-(4-methoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464587
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 51184636
(2S)-N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7562963

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide (CID 7802002) is (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Sc2nnnn2-c2cccc(F)c2)c1.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide?
The InChIKey is SGMHTPCNVIHTQY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-11-5-3-7-14(9-11)19-16(24)12(2)25-17-20-21-22-23(17)15-8-4-6-13(18)10-15/h3-10,12H,1-2H3,(H,19,24)/t12-/m1/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide?
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7802002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).