[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate

C16H14ClF2NO4S — CID 46814981

IUPAC[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESO=C(COC(=O)CCc1ccsc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H14ClF2NO4S/c17-12-7-11(2-3-13(12)24-16(18)19)20-14(21)8-23-15(22)4-1-10-5-6-25-9-10/h2-3,5-7,9,16H,1,4,8H2,(H,20,21)
InChIKeyBRNXWYBUZPFOGG-UHFFFAOYSA-N
MW389.81 g/mol
LogP4.12
Rot. Bonds8

About [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 46814981) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID46814981
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESO=C(COC(=O)CCc1ccsc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H14ClF2NO4S/c17-12-7-11(2-3-13(12)24-16(18)19)20-14(21)8-23-15(22)4-1-10-5-6-25-9-10/h2-3,5-7,9,16H,1,4,8H2,(H,20,21)
InChIKeyBRNXWYBUZPFOGG-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789518
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 16528284
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 17496748
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 46814981) is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate is O=C(COC(=O)CCc1ccsc1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is BRNXWYBUZPFOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c17-12-7-11(2-3-13(12)24-16(18)19)20-14(21)8-23-15(22)4-1-10-5-6-25-9-10/h2-3,5-7,9,16H,1,4,8H2,(H,20,21).
What are the key properties of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 389.81 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 46814981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).