[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C19H20N2O5S — CID 5057095

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C19H20N2O5S/c1-11-7-8-16(27-11)19(25)20-10-17(23)26-13(3)18(24)21-15-6-4-5-14(9-15)12(2)22/h4-9,13H,10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyWWHZDDHLRKBWLY-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.56
Rot. Bonds7

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 5057095) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID5057095
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C19H20N2O5S/c1-11-7-8-16(27-11)19(25)20-10-17(23)26-13(3)18(24)21-15-6-4-5-14(9-15)12(2)22/h4-9,13H,10H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyWWHZDDHLRKBWLY-UHFFFAOYSA-N
XLogP2.56
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate 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

Cambridge id 7093803
CID 2925804
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2340519
[2-(3-Acetylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 2353604
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2385732
[2-(2-Cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2409339
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3481272
[2-(4-Acetylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3949499
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 4789751
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4876113
[2-(2-Methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 5057095) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is CC(=O)c1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(C)s2)c1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is WWHZDDHLRKBWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-11-7-8-16(27-11)19(25)20-10-17(23)26-13(3)18(24)21-15-6-4-5-14(9-15)12(2)22/h4-9,13H,10H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 388.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 5057095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).