4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide

C15H18N2OS — CID 81407811

IUPAC4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CCN)cc1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-3-2-10-19-14)17-15(18)13-6-4-12(5-7-13)8-9-16/h2-7,10-11H,8-9,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyFUYIHJXQGDKVQZ-NSHDSACASA-N
MW274.39 g/mol
LogP2.74
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide

4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 81407811) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID81407811
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(CCN)cc1)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-3-2-10-19-14)17-15(18)13-6-4-12(5-7-13)8-9-16/h2-7,10-11H,8-9,16H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyFUYIHJXQGDKVQZ-NSHDSACASA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 81407811) is 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(CCN)cc1)c1cccs1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is FUYIHJXQGDKVQZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(14-3-2-10-19-14)17-15(18)13-6-4-12(5-7-13)8-9-16/h2-7,10-11H,8-9,16H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 274.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 81407811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).