(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide

C17H16FN5O2S — CID 95571898

IUPAC(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H16FN5O2S/c1-12(17(24)19-15-10-6-5-9-14(15)18)26(25)11-16-20-21-22-23(16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,24)/t12-,26+/m0/s1
InChIKeyOUWDPAJKWVOEGS-GWQKEKGPSA-N
MW373.41 g/mol
LogP2.08
Rot. Bonds6

About (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide

(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide (PubChem CID 95571898) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
PubChem CID95571898
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H16FN5O2S/c1-12(17(24)19-15-10-6-5-9-14(15)18)26(25)11-16-20-21-22-23(16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,24)/t12-,26+/m0/s1
InChIKeyOUWDPAJKWVOEGS-GWQKEKGPSA-N
XLogP2.08
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]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

1-(2-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
CID 18565987
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169378
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 123099889
(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
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide (CID 95571898) is (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide is C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1nnnn1-c1ccccc1.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide?
The InChIKey is OUWDPAJKWVOEGS-GWQKEKGPSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-12(17(24)19-15-10-6-5-9-14(15)18)26(25)11-16-20-21-22-23(16)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,24)/t12-,26+/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide?
(2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide has a molecular weight of 373.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-[(R)-(1-phenyltetrazol-5-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 95571898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).