N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C18H17N3O3S2 — CID 7981808

IUPACN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H17N3O3S2/c1-12(22)14(10-13-6-3-2-4-7-13)19-16(23)11-26-18-21-20-17(24-18)15-8-5-9-25-15/h2-9,14H,10-11H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeySBWUSHCQSZVRPG-AWEZNQCLSA-N
MW387.49 g/mol
LogP3.21
Rot. Bonds8

About N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7981808) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID7981808
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H17N3O3S2/c1-12(22)14(10-13-6-3-2-4-7-13)19-16(23)11-26-18-21-20-17(24-18)15-8-5-9-25-15/h2-9,14H,10-11H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeySBWUSHCQSZVRPG-AWEZNQCLSA-N
XLogP3.21
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40627760
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7805684
N-[1-(4-ethylphenyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78588057
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582334
N-propan-2-yl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582333
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640132
N-[(2R)-octan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8640251
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981706
(2R)-N-propyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]propanamide
CID 8582329
2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41113835
N-methyl-2-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582336

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7981808) is N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SBWUSHCQSZVRPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12(22)14(10-13-6-3-2-4-7-13)19-16(23)11-26-18-21-20-17(24-18)15-8-5-9-25-15/h2-9,14H,10-11H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7981808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).