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

C17H16N4O3S2 — CID 27351178

IUPAC3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O3S2/c18-14(22)8-9-21(12-5-2-1-3-6-12)15(23)11-26-17-20-19-16(24-17)13-7-4-10-25-13/h1-7,10H,8-9,11H2,(H2,18,22)
InChIKeyUDXCHJOTNQBVMD-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.80
Rot. Bonds8

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

3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide (PubChem CID 27351178) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide
PubChem CID27351178
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O3S2/c18-14(22)8-9-21(12-5-2-1-3-6-12)15(23)11-26-17-20-19-16(24-17)13-7-4-10-25-13/h1-7,10H,8-9,11H2,(H2,18,22)
InChIKeyUDXCHJOTNQBVMD-UHFFFAOYSA-N
XLogP2.80
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
3-(N-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide
CID 37284481
N-benzhydryl-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 35795719
N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 41373046
3-(N-[2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4-methoxyanilino)propanamide
CID 24528153
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
N-tert-butyl-2-[methyl-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8582305
3-(4-fluoro-N-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)propanamide
CID 27325313
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8582278
N-(cyanomethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7815925
N-(2-cyanoethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7376793

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide?
The IUPAC name of 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide (CID 27351178) is 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide?
The canonical SMILES for 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide is NC(=O)CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1ccccc1.
What is the InChIKey of 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide?
The InChIKey is UDXCHJOTNQBVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c18-14(22)8-9-21(12-5-2-1-3-6-12)15(23)11-26-17-20-19-16(24-17)13-7-4-10-25-13/h1-7,10H,8-9,11H2,(H2,18,22).
What are the key properties of 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide?
3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide has a molecular weight of 388.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]anilino)propanamide is sourced from PubChem (CID 27351178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).