[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

C18H19F2NO4S — CID 7418690

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)sc1C
InChIInChI=1S/C18H19F2NO4S/c1-3-6-12-9-15(26-11(12)2)17(23)24-10-16(22)21-13-7-4-5-8-14(13)25-18(19)20/h4-5,7-9,18H,3,6,10H2,1-2H3,(H,21,22)
InChIKeyQRJUYPMBVLPCNJ-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.41
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7418690) has the molecular formula C18H19F2NO4S and a molecular weight of 383.42 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7418690
Molecular FormulaC18H19F2NO4S
Molecular Weight383.42 g/mol
Exact Mass383.10
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)sc1C
InChIInChI=1S/C18H19F2NO4S/c1-3-6-12-9-15(26-11(12)2)17(23)24-10-16(22)21-13-7-4-5-8-14(13)25-18(19)20/h4-5,7-9,18H,3,6,10H2,1-2H3,(H,21,22)
InChIKeyQRJUYPMBVLPCNJ-UHFFFAOYSA-N
XLogP4.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
CID 8576157
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
CID 8576163
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418951
[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683646
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418970
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683649
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771224
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2397865
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683671
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418679
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950713
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516847

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 7418690) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)sc1C.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is QRJUYPMBVLPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4S/c1-3-6-12-9-15(26-11(12)2)17(23)24-10-16(22)21-13-7-4-5-8-14(13)25-18(19)20/h4-5,7-9,18H,3,6,10H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 383.42 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7418690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).