(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide

C21H22ClN3O2S — CID 8725520

IUPAC(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide
SMILESCC[C@H](CNC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C21H22ClN3O2S/c1-3-15(16-8-5-4-6-9-16)13-23-19(26)14(2)28-21-25-24-20(27-21)17-10-7-11-18(22)12-17/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)/t14-,15+/m0/s1
InChIKeyVXOCAVMDAWHLMQ-LSDHHAIUSA-N
MW415.95 g/mol
LogP5.18
Rot. Bonds8

About (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide

(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide (PubChem CID 8725520) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide
PubChem CID8725520
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide
SMILESCC[C@H](CNC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C21H22ClN3O2S/c1-3-15(16-8-5-4-6-9-16)13-23-19(26)14(2)28-21-25-24-20(27-21)17-10-7-11-18(22)12-17/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)/t14-,15+/m0/s1
InChIKeyVXOCAVMDAWHLMQ-LSDHHAIUSA-N
XLogP5.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]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

(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 9382607
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)propanamide
CID 9382584
(2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7534059
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 7661265
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9382608
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9382662
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
(2S)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylpropyl]propanamide
CID 9344925
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 9382625
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9382630
(2R)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 9382590
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide?
The IUPAC name of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide (CID 8725520) is (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide.
What is the SMILES notation for (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide?
The canonical SMILES for (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide is CC[C@H](CNC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide?
The InChIKey is VXOCAVMDAWHLMQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-3-15(16-8-5-4-6-9-16)13-23-19(26)14(2)28-21-25-24-20(27-21)17-10-7-11-18(22)12-17/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)/t14-,15+/m0/s1.
What are the key properties of (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide?
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide has a molecular weight of 415.95 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide is sourced from PubChem (CID 8725520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).