(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C17H23N3OS2 — CID 95287144

IUPAC(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Sc1nncs1
InChIInChI=1S/C17H23N3OS2/c1-12(10-17(3,4)14-8-6-5-7-9-14)19-15(21)13(2)23-16-20-18-11-22-16/h5-9,11-13H,10H2,1-4H3,(H,19,21)/t12-,13+/m0/s1
InChIKeyZOECZEVUEAARRF-QWHCGFSZSA-N
MW349.53 g/mol
LogP3.89
Rot. Bonds7

About (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 95287144) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID95287144
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Sc1nncs1
InChIInChI=1S/C17H23N3OS2/c1-12(10-17(3,4)14-8-6-5-7-9-14)19-15(21)13(2)23-16-20-18-11-22-16/h5-9,11-13H,10H2,1-4H3,(H,19,21)/t12-,13+/m0/s1
InChIKeyZOECZEVUEAARRF-QWHCGFSZSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 95287144) is (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Sc1nncs1.
What is the InChIKey of (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is ZOECZEVUEAARRF-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-12(10-17(3,4)14-8-6-5-7-9-14)19-15(21)13(2)23-16-20-18-11-22-16/h5-9,11-13H,10H2,1-4H3,(H,19,21)/t12-,13+/m0/s1.
What are the key properties of (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 349.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 95287144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).