N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

C21H17N3O2S2 — CID 139582971

IUPACN-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4c4cccs4)c3)n2)s1
InChIInChI=1S/C21H17N3O2S2/c1-12-7-8-18(28-12)19-23-21(26-24-19)13-4-2-5-14(10-13)22-20(25)16-11-15(16)17-6-3-9-27-17/h2-10,15-16H,11H2,1H3,(H,22,25)
InChIKeyPOQSAUPSTVUHPO-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.58
Rot. Bonds5

About N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 139582971) has the molecular formula C21H17N3O2S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID139582971
Molecular FormulaC21H17N3O2S2
Molecular Weight407.52 g/mol
Exact Mass407.08
IUPAC NameN-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4c4cccs4)c3)n2)s1
InChIInChI=1S/C21H17N3O2S2/c1-12-7-8-18(28-12)19-23-21(26-24-19)13-4-2-5-14(10-13)22-20(25)16-11-15(16)17-6-3-9-27-17/h2-10,15-16H,11H2,1H3,(H,22,25)
InChIKeyPOQSAUPSTVUHPO-UHFFFAOYSA-N
XLogP5.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681378
N-(4-methoxyphenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681350
2-methyl-N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]cyclopropane-1-carboxamide
CID 120865611
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
(3R)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 39835415
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 46267006
4-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]thiadiazole-5-carboxamide
CID 39835416
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
CID 45153659
N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 139582978

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 139582971) is N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is Cc1ccc(-c2noc(-c3cccc(NC(=O)C4CC4c4cccs4)c3)n2)s1.
What is the InChIKey of N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is POQSAUPSTVUHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S2/c1-12-7-8-18(28-12)19-23-21(26-24-19)13-4-2-5-14(10-13)22-20(25)16-11-15(16)17-6-3-9-27-17/h2-10,15-16H,11H2,1H3,(H,22,25).
What are the key properties of N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 139582971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).