N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C20H24N4O3S — CID 51886389

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1cccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)c1
InChIInChI=1S/C20H24N4O3S/c1-24(2)17(14-5-4-6-16(11-14)26-3)12-21-18(25)7-8-19-22-23-20(27-19)15-9-10-28-13-15/h4-6,9-11,13,17H,7-8,12H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyBVASWPVWHACQAF-QGZVFWFLSA-N
MW400.50 g/mol
LogP3.16
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 51886389) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID51886389
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1cccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)c1
InChIInChI=1S/C20H24N4O3S/c1-24(2)17(14-5-4-6-16(11-14)26-3)12-21-18(25)7-8-19-22-23-20(27-19)15-9-10-28-13-15/h4-6,9-11,13,17H,7-8,12H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyBVASWPVWHACQAF-QGZVFWFLSA-N
XLogP3.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)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-(4-methoxy-2-pyridinyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75434520
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 134057342
methyl 6-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-6-oxohexanoate
CID 99788340
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273
4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30527770
1-(3-acetamidophenyl)ethyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 48909568
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 51886389) is N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is COc1cccc([C@@H](CNC(=O)CCc2nnc(-c3ccsc3)o2)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is BVASWPVWHACQAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-24(2)17(14-5-4-6-16(11-14)26-3)12-21-18(25)7-8-19-22-23-20(27-19)15-9-10-28-13-15/h4-6,9-11,13,17H,7-8,12H2,1-3H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 400.50 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 51886389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).