N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

C16H15N3O2S2 — CID 18122417

IUPACN-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O2S2/c1-2-12(14(20)17-11-7-4-3-5-8-11)23-16-19-18-15(21-16)13-9-6-10-22-13/h3-10,12H,2H2,1H3,(H,17,20)
InChIKeySHIHMROJMVFRPW-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.31
Rot. Bonds6

About N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (PubChem CID 18122417) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
PubChem CID18122417
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O2S2/c1-2-12(14(20)17-11-7-4-3-5-8-11)23-16-19-18-15(21-16)13-9-6-10-22-13/h3-10,12H,2H2,1H3,(H,17,20)
InChIKeySHIHMROJMVFRPW-UHFFFAOYSA-N
XLogP4.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanehydrazide
CID 83048615
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7824763
(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 40616881
(2R)-N-(3-bromophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 8556634
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
methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 55017257
N-(2-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981797
(2R)-N-(2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7981748
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 31281892
(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-[[(2R)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 8557167

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (CID 18122417) is N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is CCC(Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is SHIHMROJMVFRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-2-12(14(20)17-11-7-4-3-5-8-11)23-16-19-18-15(21-16)13-9-6-10-22-13/h3-10,12H,2H2,1H3,(H,17,20).
What are the key properties of N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 345.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 18122417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).