N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide

C18H20Cl2N2O2S — CID 31970051

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCc1ccsc1
InChIInChI=1S/C18H20Cl2N2O2S/c1-2-8-22(18(24)6-3-13-7-9-25-12-13)11-17(23)21-16-10-14(19)4-5-15(16)20/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,21,23)
InChIKeyFRLMUWZXVAISFJ-UHFFFAOYSA-N
MW399.34 g/mol
LogP4.86
Rot. Bonds8

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide (PubChem CID 31970051) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
PubChem CID31970051
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCc1ccsc1
InChIInChI=1S/C18H20Cl2N2O2S/c1-2-8-22(18(24)6-3-13-7-9-25-12-13)11-17(23)21-16-10-14(19)4-5-15(16)20/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,21,23)
InChIKeyFRLMUWZXVAISFJ-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
3-(1,3-benzothiazol-2-yl)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 52892082
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
methyl 4-chloro-3-(3-thiophen-3-ylpropanoylamino)benzoate
CID 39952261
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide (CID 31970051) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCc1ccsc1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide?
The InChIKey is FRLMUWZXVAISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c1-2-8-22(18(24)6-3-13-7-9-25-12-13)11-17(23)21-16-10-14(19)4-5-15(16)20/h4-5,7,9-10,12H,2-3,6,8,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide has a molecular weight of 399.34 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 31970051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).