[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate

C18H21NO4S — CID 7801059

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
SMILESCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)sc1C
InChIInChI=1S/C18H21NO4S/c1-5-13-10-16(24-12(13)3)18(21)23-11(2)17(20)19-14-8-6-7-9-15(14)22-4/h6-11H,5H2,1-4H3,(H,19,20)/t11-/m0/s1
InChIKeyXMFWWCMLEGVNET-NSHDSACASA-N
MW347.44 g/mol
LogP3.81
Rot. Bonds6

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate (PubChem CID 7801059) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
PubChem CID7801059
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
SMILESCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)sc1C
InChIInChI=1S/C18H21NO4S/c1-5-13-10-16(24-12(13)3)18(21)23-11(2)17(20)19-14-8-6-7-9-15(14)22-4/h6-11H,5H2,1-4H3,(H,19,20)/t11-/m0/s1
InChIKeyXMFWWCMLEGVNET-NSHDSACASA-N
XLogP3.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate 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

[(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
[(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
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801013
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7284005
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24983229
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483574
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 46625247
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate (CID 7801059) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate is CCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)sc1C.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate?
The InChIKey is XMFWWCMLEGVNET-NSHDSACASA-N. The full InChI is InChI=1S/C18H21NO4S/c1-5-13-10-16(24-12(13)3)18(21)23-11(2)17(20)19-14-8-6-7-9-15(14)22-4/h6-11H,5H2,1-4H3,(H,19,20)/t11-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7801059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).