nonyl 2-(thiophene-2-carbonylamino)propanoate

C17H27NO3S — CID 6422194

IUPACnonyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCCCCCCCCCOC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C17H27NO3S/c1-3-4-5-6-7-8-9-12-21-17(20)14(2)18-16(19)15-11-10-13-22-15/h10-11,13-14H,3-9,12H2,1-2H3,(H,18,19)
InChIKeyZXRBCVUVUWVTCX-UHFFFAOYSA-N
MW325.47 g/mol
LogP4.16
Rot. Bonds11

About nonyl 2-(thiophene-2-carbonylamino)propanoate

nonyl 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 6422194) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is nonyl 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namenonyl 2-(thiophene-2-carbonylamino)propanoate
PubChem CID6422194
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Namenonyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCCCCCCCCCOC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C17H27NO3S/c1-3-4-5-6-7-8-9-12-21-17(20)14(2)18-16(19)15-11-10-13-22-15/h10-11,13-14H,3-9,12H2,1-2H3,(H,18,19)
InChIKeyZXRBCVUVUWVTCX-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 54.16
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

butyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 156853729
heptyl thiophene-2-carboxylate
CID 574115
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
octadecyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20837400
heptyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 20836974
hexadecyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425550
heptadecyl 2-[(4-fluorobenzoyl)amino]propanoate
CID 6424542
dodecyl (2S)-2-[(4-ethylbenzoyl)amino]propanoate
CID 20836931
heptadecyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20837263
heptyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836854

Frequently Asked Questions

What is the IUPAC name of nonyl 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of nonyl 2-(thiophene-2-carbonylamino)propanoate (CID 6422194) is nonyl 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for nonyl 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for nonyl 2-(thiophene-2-carbonylamino)propanoate is CCCCCCCCCOC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of nonyl 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is ZXRBCVUVUWVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-3-4-5-6-7-8-9-12-21-17(20)14(2)18-16(19)15-11-10-13-22-15/h10-11,13-14H,3-9,12H2,1-2H3,(H,18,19).
What are the key properties of nonyl 2-(thiophene-2-carbonylamino)propanoate?
nonyl 2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 325.47 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 6422194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).