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

C14H21NO3S — CID 43408697

IUPACmethyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
SMILESCCc1ccc(C(=O)NCCCCCC(=O)OC)s1
InChIInChI=1S/C14H21NO3S/c1-3-11-8-9-12(19-11)14(17)15-10-6-4-5-7-13(16)18-2/h8-9H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyGZNXCFMGORXKGG-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.77
Rot. Bonds8

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

methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate (PubChem CID 43408697) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
PubChem CID43408697
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Namemethyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate
SMILESCCc1ccc(C(=O)NCCCCCC(=O)OC)s1
InChIInChI=1S/C14H21NO3S/c1-3-11-8-9-12(19-11)14(17)15-10-6-4-5-7-13(16)18-2/h8-9H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyGZNXCFMGORXKGG-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43170039
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
methyl 6-[(5-bromothiophene-2-carbonyl)amino]hexanoate
CID 43404595
N-(6-chlorohexyl)-5-ethylthiophene-2-carboxamide
CID 107847091
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
methyl 6-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]hexanoate
CID 111957467
2-N,5-N-di(tetradecyl)thiophene-2,5-dicarboxamide
CID 177491434
methyl 6-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]hexanoate;hydroiodide
CID 111956610
methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate (CID 43408697) is methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate is CCc1ccc(C(=O)NCCCCCC(=O)OC)s1.
What is the InChIKey of methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate?
The InChIKey is GZNXCFMGORXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-11-8-9-12(19-11)14(17)15-10-6-4-5-7-13(16)18-2/h8-9H,3-7,10H2,1-2H3,(H,15,17).
What are the key properties of methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate?
methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate has a molecular weight of 283.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-ethylthiophene-2-carbonyl)amino]hexanoate is sourced from PubChem (CID 43408697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).