[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate

C18H19NO5S — CID 18123312

IUPAC[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C(C)OC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C18H19NO5S/c1-10-5-6-14(23-4)13(9-10)19-17(21)12(3)24-18(22)16-8-7-15(25-16)11(2)20/h5-9,12H,1-4H3,(H,19,21)
InChIKeyWMNLHKLHPREOGZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.45
Rot. Bonds6

About [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate

[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate (PubChem CID 18123312) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
PubChem CID18123312
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C(C)OC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C18H19NO5S/c1-10-5-6-14(23-4)13(9-10)19-17(21)12(3)24-18(22)16-8-7-15(25-16)11(2)20/h5-9,12H,1-4H3,(H,19,21)
InChIKeyWMNLHKLHPREOGZ-UHFFFAOYSA-N
XLogP3.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958751
[1-(2-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
CID 18123221
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418016
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738415
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728377
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-bromo-4-methoxybenzoate
CID 46630134
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666699
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666701
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 55418713
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate
CID 40812049
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18092226
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-methylbutanoate
CID 46512010

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate?
The IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate (CID 18123312) is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate.
What is the SMILES notation for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate?
The canonical SMILES for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate is COc1ccc(C)cc1NC(=O)C(C)OC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate?
The InChIKey is WMNLHKLHPREOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-10-5-6-14(23-4)13(9-10)19-17(21)12(3)24-18(22)16-8-7-15(25-16)11(2)20/h5-9,12H,1-4H3,(H,19,21).
What are the key properties of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate?
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate is sourced from PubChem (CID 18123312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).