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

C17H20N2O2S — CID 23647084

IUPAC4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccsc1
InChIInChI=1S/C17H20N2O2S/c1-12(19-10-16(20)15-8-9-22-11-15)2-3-13-4-6-14(7-5-13)17(18)21/h4-9,11-12,19H,2-3,10H2,1H3,(H2,18,21)/t12-/m1/s1
InChIKeyCFPCRKZFBZXUPP-GFCCVEGCSA-N
MW316.43 g/mol
LogP2.64
Rot. Bonds8

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

4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide (PubChem CID 23647084) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide
PubChem CID23647084
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccsc1
InChIInChI=1S/C17H20N2O2S/c1-12(19-10-16(20)15-8-9-22-11-15)2-3-13-4-6-14(7-5-13)17(18)21/h4-9,11-12,19H,2-3,10H2,1H3,(H2,18,21)/t12-/m1/s1
InChIKeyCFPCRKZFBZXUPP-GFCCVEGCSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide?
The IUPAC name of 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide (CID 23647084) is 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide is C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccsc1.
What is the InChIKey of 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide?
The InChIKey is CFPCRKZFBZXUPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(19-10-16(20)15-8-9-22-11-15)2-3-13-4-6-14(7-5-13)17(18)21/h4-9,11-12,19H,2-3,10H2,1H3,(H2,18,21)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide?
4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide has a molecular weight of 316.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(2-oxo-2-thiophen-3-ylethyl)amino]butyl]benzamide is sourced from PubChem (CID 23647084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).