N-[(1S)-1-thiophen-2-ylethyl]benzamide

C13H13NOS — CID 768439

IUPACN-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H13NOS/c1-10(12-8-5-9-16-12)14-13(15)11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15)/t10-/m0/s1
InChIKeyRAIMHFJVWCMCBU-JTQLQIEISA-N
MW231.32 g/mol
LogP3.24
Rot. Bonds3

About N-[(1S)-1-thiophen-2-ylethyl]benzamide

N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 768439) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID768439
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H13NOS/c1-10(12-8-5-9-16-12)14-13(15)11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15)/t10-/m0/s1
InChIKeyRAIMHFJVWCMCBU-JTQLQIEISA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 768439) is N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(1S)-1-thiophen-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is RAIMHFJVWCMCBU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13NOS/c1-10(12-8-5-9-16-12)14-13(15)11-6-3-2-4-7-11/h2-10H,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-thiophen-2-ylethyl]benzamide?
N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 231.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 768439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).