5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide

C17H15Cl2N3O2S — CID 86888039

IUPAC5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1
InChIInChI=1S/C17H15Cl2N3O2S/c1-3-15-20-16(24-21-15)9-22(2)17(23)14-7-6-13(25-14)10-4-5-11(18)12(19)8-10/h4-8H,3,9H2,1-2H3
InChIKeyPUNWJWHNNUSNHY-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.94
Rot. Bonds5

About 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide

5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 86888039) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID86888039
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC Name5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1
InChIInChI=1S/C17H15Cl2N3O2S/c1-3-15-20-16(24-21-15)9-22(2)17(23)14-7-6-13(25-14)10-4-5-11(18)12(19)8-10/h4-8H,3,9H2,1-2H3
InChIKeyPUNWJWHNNUSNHY-UHFFFAOYSA-N
XLogP4.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 56509049
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 6485272
2-[(4-chlorophenoxy)methyl]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 56509311
5-[(4-butylphenyl)sulfamoyl]-2-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56521290
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 72858622
5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 46997067

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide (CID 86888039) is 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide is CCc1noc(CN(C)C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PUNWJWHNNUSNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-3-15-20-16(24-21-15)9-22(2)17(23)14-7-6-13(25-14)10-4-5-11(18)12(19)8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide?
5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 396.30 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 86888039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).