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

C16H12N4O2S2 — CID 40616881

IUPAC(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12N4O2S2/c1-10(14(21)18-12-6-4-11(9-17)5-7-12)24-16-20-19-15(22-16)13-3-2-8-23-13/h2-8,10H,1H3,(H,18,21)/t10-/m0/s1
InChIKeyKXMAQLKCFDBYHO-JTQLQIEISA-N
MW356.43 g/mol
LogP3.79
Rot. Bonds5

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

(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 40616881) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID40616881
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H12N4O2S2/c1-10(14(21)18-12-6-4-11(9-17)5-7-12)24-16-20-19-15(22-16)13-3-2-8-23-13/h2-8,10H,1H3,(H,18,21)/t10-/m0/s1
InChIKeyKXMAQLKCFDBYHO-JTQLQIEISA-N
XLogP3.79
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 8556634
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7832101
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanehydrazide
CID 63591351
(2S)-N-(2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592979
2-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8557167
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 31281892
(2R)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7981748
(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7981765
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 112786193
N-(3-chloro-2-methylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78723149
(2S)-N-(4-cyanophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7533686
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592868

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 40616881) is (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KXMAQLKCFDBYHO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H12N4O2S2/c1-10(14(21)18-12-6-4-11(9-17)5-7-12)24-16-20-19-15(22-16)13-3-2-8-23-13/h2-8,10H,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 40616881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).