methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate

C13H19NO3S — CID 43404553

IUPACmethyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(C)s1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-11(18-10)13(16)14-9-5-3-4-6-12(15)17-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyKKTXPCOOXVTYIH-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.52
Rot. Bonds7

About methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate

methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate (PubChem CID 43404553) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
PubChem CID43404553
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Namemethyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(C)s1
InChIInChI=1S/C13H19NO3S/c1-10-7-8-11(18-10)13(16)14-9-5-3-4-6-12(15)17-2/h7-8H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyKKTXPCOOXVTYIH-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate 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 6-[(5-bromothiophene-2-carbonyl)amino]hexanoate
CID 43404595
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
CID 43408697
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 61031833
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
methyl 6-[[N'-methyl-N-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]hexanoate;hydroiodide
CID 111897300
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate (CID 43404553) is methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(C)s1.
What is the InChIKey of methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate?
The InChIKey is KKTXPCOOXVTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-7-8-11(18-10)13(16)14-9-5-3-4-6-12(15)17-2/h7-8H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate?
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate has a molecular weight of 269.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate is sourced from PubChem (CID 43404553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).