methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate

C14H21NO3S — CID 158799610

IUPACmethyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate
SMILESCCCNC(C)C(=O)Cc1c(C)csc1C(=O)OC
InChIInChI=1S/C14H21NO3S/c1-5-6-15-10(3)12(16)7-11-9(2)8-19-13(11)14(17)18-4/h8,10,15H,5-7H2,1-4H3
InChIKeyBUYZZQMZPNCXSL-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.34
Rot. Bonds7

About methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate

methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate (PubChem CID 158799610) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate
PubChem CID158799610
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Namemethyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate
SMILESCCCNC(C)C(=O)Cc1c(C)csc1C(=O)OC
InChIInChI=1S/C14H21NO3S/c1-5-6-15-10(3)12(16)7-11-9(2)8-19-13(11)14(17)18-4/h8,10,15H,5-7H2,1-4H3
InChIKeyBUYZZQMZPNCXSL-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-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

methyl 3-[2-(butylamino)propanoylamino]-4-methylthiophene-2-carboxylate
CID 71587156
4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid
CID 22076671
methyl 4-methyl-3-[2-[nitroso(propyl)amino]propanoylamino]thiophene-2-carboxylate
CID 171390081
methyl 3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylthiophene-2-carboxylate
CID 104983078
methyl 3-(2-carbamothioylpentanoylamino)-4-methylthiophene-2-carboxylate
CID 114915714
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
methyl 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748990
methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
CID 114916462
methyl 4-[(1S)-1-(propylamino)ethyl]benzoate
CID 142387004
methyl 3-azido-4-methylthiophene-2-carboxylate
CID 150825910
methyl 4-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749197
methyl 3-(3-hydroxypentylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749328

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate (CID 158799610) is methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate is CCCNC(C)C(=O)Cc1c(C)csc1C(=O)OC.
What is the InChIKey of methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate?
The InChIKey is BUYZZQMZPNCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-5-6-15-10(3)12(16)7-11-9(2)8-19-13(11)14(17)18-4/h8,10,15H,5-7H2,1-4H3.
What are the key properties of methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate has a molecular weight of 283.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[2-oxo-3-(propylamino)butyl]thiophene-2-carboxylate is sourced from PubChem (CID 158799610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).