4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide

C16H18N2O3S — CID 23647085

IUPAC4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide
SMILESC[C@H](COc1ccc(C(N)=O)cc1)NCC(=O)c1ccsc1
InChIInChI=1S/C16H18N2O3S/c1-11(18-8-15(19)13-6-7-22-10-13)9-21-14-4-2-12(3-5-14)16(17)20/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1
InChIKeyAIIYAROLMUCDAD-LLVKDONJSA-N
MW318.40 g/mol
LogP2.09
Rot. Bonds8

About 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide

4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide (PubChem CID 23647085) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide.

Molecular Properties

Compound Name4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide
PubChem CID23647085
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide
SMILESC[C@H](COc1ccc(C(N)=O)cc1)NCC(=O)c1ccsc1
InChIInChI=1S/C16H18N2O3S/c1-11(18-8-15(19)13-6-7-22-10-13)9-21-14-4-2-12(3-5-14)16(17)20/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1
InChIKeyAIIYAROLMUCDAD-LLVKDONJSA-N
XLogP2.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide?
The IUPAC name of 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide (CID 23647085) is 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide.
What is the SMILES notation for 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide?
The canonical SMILES for 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide is C[C@H](COc1ccc(C(N)=O)cc1)NCC(=O)c1ccsc1.
What is the InChIKey of 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide?
The InChIKey is AIIYAROLMUCDAD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(18-8-15(19)13-6-7-22-10-13)9-21-14-4-2-12(3-5-14)16(17)20/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide?
4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[(2-oxo-2-thiophen-3-ylethyl)amino]propoxy]benzamide is sourced from PubChem (CID 23647085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).