N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide

C18H18Cl2N2O3S — CID 25313719

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H18Cl2N2O3S/c1-2-22(17(25)9-8-14(23)15-7-4-10-26-15)11-16(24)21-18-12(19)5-3-6-13(18)20/h3-7,10H,2,8-9,11H2,1H3,(H,21,24)
InChIKeyFCGYKKOMDWEIHR-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.51
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 25313719) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID25313719
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H18Cl2N2O3S/c1-2-22(17(25)9-8-14(23)15-7-4-10-26-15)11-16(24)21-18-12(19)5-3-6-13(18)20/h3-7,10H,2,8-9,11H2,1H3,(H,21,24)
InChIKeyFCGYKKOMDWEIHR-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 7972132
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34170082
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38035098

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide (CID 25313719) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is FCGYKKOMDWEIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-2-22(17(25)9-8-14(23)15-7-4-10-26-15)11-16(24)21-18-12(19)5-3-6-13(18)20/h3-7,10H,2,8-9,11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 413.33 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 25313719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).