4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid

C15H24N2O3S — CID 22076671

IUPAC4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid
SMILESCCCNC(C)C(=O)N(CCC)c1c(C)csc1C(=O)O
InChIInChI=1S/C15H24N2O3S/c1-5-7-16-11(4)14(18)17(8-6-2)12-10(3)9-21-13(12)15(19)20/h9,11,16H,5-8H2,1-4H3,(H,19,20)
InChIKeyWMVSMTZRVIRTNT-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.89
Rot. Bonds8

About 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid

4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid (PubChem CID 22076671) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid
PubChem CID22076671
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid
SMILESCCCNC(C)C(=O)N(CCC)c1c(C)csc1C(=O)O
InChIInChI=1S/C15H24N2O3S/c1-5-7-16-11(4)14(18)17(8-6-2)12-10(3)9-21-13(12)15(19)20/h9,11,16H,5-8H2,1-4H3,(H,19,20)
InChIKeyWMVSMTZRVIRTNT-UHFFFAOYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid (CID 22076671) is 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid is CCCNC(C)C(=O)N(CCC)c1c(C)csc1C(=O)O.
What is the InChIKey of 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid?
The InChIKey is WMVSMTZRVIRTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-7-16-11(4)14(18)17(8-6-2)12-10(3)9-21-13(12)15(19)20/h9,11,16H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid?
4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid has a molecular weight of 312.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[propyl-[2-(propylamino)propanoyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 22076671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).