[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate

C19H21F2NO4S — CID 8576163

IUPAC[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)sc1C
InChIInChI=1S/C19H21F2NO4S/c1-4-7-13-10-16(27-12(13)3)18(24)25-11(2)17(23)22-14-8-5-6-9-15(14)26-19(20)21/h5-6,8-11,19H,4,7H2,1-3H3,(H,22,23)/t11-/m1/s1
InChIKeyIPZLIXFSJLFHTH-LLVKDONJSA-N
MW397.44 g/mol
LogP4.79
Rot. Bonds8

About [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate

[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 8576163) has the molecular formula C19H21F2NO4S and a molecular weight of 397.44 g/mol. Its IUPAC name is [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID8576163
Molecular FormulaC19H21F2NO4S
Molecular Weight397.44 g/mol
Exact Mass397.12
IUPAC Name[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)sc1C
InChIInChI=1S/C19H21F2NO4S/c1-4-7-13-10-16(27-12(13)3)18(24)25-11(2)17(23)22-14-8-5-6-9-15(14)26-19(20)21/h5-6,8-11,19H,4,7H2,1-3H3,(H,22,23)/t11-/m1/s1
InChIKeyIPZLIXFSJLFHTH-LLVKDONJSA-N
XLogP4.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
CID 8576157
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418690
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801059
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801075
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801048
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 46630049
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2,4,5-trimethylfuran-3-carboxylate
CID 46641324
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683618
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801013
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate
CID 55425996
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 46625247

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate (CID 8576163) is [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)sc1C.
What is the InChIKey of [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is IPZLIXFSJLFHTH-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21F2NO4S/c1-4-7-13-10-16(27-12(13)3)18(24)25-11(2)17(23)22-14-8-5-6-9-15(14)26-19(20)21/h5-6,8-11,19H,4,7H2,1-3H3,(H,22,23)/t11-/m1/s1.
What are the key properties of [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 397.44 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 8576163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).