[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate

C14H10ClF2NO4S — CID 16524152

IUPAC[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO4S/c15-9-6-8(3-4-10(9)22-14(16)17)18-12(19)7-21-13(20)11-2-1-5-23-11/h1-6,14H,7H2,(H,18,19)
InChIKeyHOENXKBERDCHFY-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.80
Rot. Bonds6

About [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 16524152) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID16524152
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10ClF2NO4S/c15-9-6-8(3-4-10(9)22-14(16)17)18-12(19)7-21-13(20)11-2-1-5-23-11/h1-6,14H,7H2,(H,18,19)
InChIKeyHOENXKBERDCHFY-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate (CID 16524152) is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is HOENXKBERDCHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c15-9-6-8(3-4-10(9)22-14(16)17)18-12(19)7-21-13(20)11-2-1-5-23-11/h1-6,14H,7H2,(H,18,19).
What are the key properties of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 361.75 g/mol, XLogP of 3.80, 6 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] thiophene-2-carboxylate is sourced from PubChem (CID 16524152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).