N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C19H18Cl2N4O3S — CID 38035098

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C19H18Cl2N4O3S/c1-2-25(10-15(26)22-18-13(20)4-3-5-14(18)21)17(27)7-6-16-23-24-19(28-16)12-8-9-29-11-12/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,22,26)
InChIKeyGDSZPHBXVQSJCJ-UHFFFAOYSA-N
MW453.35 g/mol
LogP4.52
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38035098) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38035098
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C19H18Cl2N4O3S/c1-2-25(10-15(26)22-18-13(20)4-3-5-14(18)21)17(27)7-6-16-23-24-19(28-16)12-8-9-29-11-12/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,22,26)
InChIKeyGDSZPHBXVQSJCJ-UHFFFAOYSA-N
XLogP4.52
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-phenyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51076251
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CID 94181333
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
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N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
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N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[4-(2-chlorophenoxy)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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CID 119228121
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 48866094
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38035098) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is GDSZPHBXVQSJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c1-2-25(10-15(26)22-18-13(20)4-3-5-14(18)21)17(27)7-6-16-23-24-19(28-16)12-8-9-29-11-12/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,22,26).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 453.35 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38035098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).