N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide

C18H19N3O3S — CID 126433153

IUPACN-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide
SMILESCOCCc1noc([C@H](C)NC(=O)c2ccc(-c3cccs3)cc2)n1
InChIInChI=1S/C18H19N3O3S/c1-12(18-20-16(21-24-18)9-10-23-2)19-17(22)14-7-5-13(6-8-14)15-4-3-11-25-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyKPOSASODQNYVDQ-LBPRGKRZSA-N
MW357.44 g/mol
LogP3.48
Rot. Bonds7

About N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide

N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide (PubChem CID 126433153) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide
PubChem CID126433153
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide
SMILESCOCCc1noc([C@H](C)NC(=O)c2ccc(-c3cccs3)cc2)n1
InChIInChI=1S/C18H19N3O3S/c1-12(18-20-16(21-24-18)9-10-23-2)19-17(22)14-7-5-13(6-8-14)15-4-3-11-25-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyKPOSASODQNYVDQ-LBPRGKRZSA-N
XLogP3.48
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide 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-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125160802
N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 118763797
N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70724046
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
CID 129416978
2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 118766115
3-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-1-(1H-pyrazol-5-ylmethyl)urea
CID 126427158
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
2-(1-adamantyl)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 46984957
4-tert-butyl-N-[(1S)-3-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butyl]benzamide
CID 52904711
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide (CID 126433153) is N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide is COCCc1noc([C@H](C)NC(=O)c2ccc(-c3cccs3)cc2)n1.
What is the InChIKey of N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide?
The InChIKey is KPOSASODQNYVDQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(18-20-16(21-24-18)9-10-23-2)19-17(22)14-7-5-13(6-8-14)15-4-3-11-25-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide?
N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide has a molecular weight of 357.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 126433153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).