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

C15H19N3OS2 — CID 29440220

IUPAC(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCCC[C@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccccc1
InChIInChI=1S/C15H19N3OS2/c1-3-7-13(12-8-5-4-6-9-12)17-14(19)11(2)21-15-18-16-10-20-15/h4-6,8-11,13H,3,7H2,1-2H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyITNNZWBKWGHTFY-YPMHNXCESA-N
MW321.47 g/mol
LogP3.68
Rot. Bonds7

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

(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 29440220) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID29440220
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCCC[C@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccccc1
InChIInChI=1S/C15H19N3OS2/c1-3-7-13(12-8-5-4-6-9-12)17-14(19)11(2)21-15-18-16-10-20-15/h4-6,8-11,13H,3,7H2,1-2H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyITNNZWBKWGHTFY-YPMHNXCESA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)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-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 95287144
(2R)-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide
CID 40751028
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylbutyl)propanamide
CID 46661201
N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51183645
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
(2R)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]propanamide
CID 29440459
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 9457472

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 29440220) is (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CCC[C@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is ITNNZWBKWGHTFY-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-3-7-13(12-8-5-4-6-9-12)17-14(19)11(2)21-15-18-16-10-20-15/h4-6,8-11,13H,3,7H2,1-2H3,(H,17,19)/t11-,13+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 321.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 29440220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).