2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide

C16H18N2O3S — CID 24982054

IUPAC2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C16H18N2O3S/c1-21-14-7-3-2-6-13(14)16(20)17-9-8-15(19)18-11-12-5-4-10-22-12/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyLJTGVILWWZBOLS-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.19
Rot. Bonds7

About 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide

2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide (PubChem CID 24982054) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
PubChem CID24982054
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCc1cccs1
InChIInChI=1S/C16H18N2O3S/c1-21-14-7-3-2-6-13(14)16(20)17-9-8-15(19)18-11-12-5-4-10-22-12/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyLJTGVILWWZBOLS-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide (CID 24982054) is 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NCc1cccs1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The InChIKey is LJTGVILWWZBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-21-14-7-3-2-6-13(14)16(20)17-9-8-15(19)18-11-12-5-4-10-22-12/h2-7,10H,8-9,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 24982054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).