2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone

C14H15NOS — CID 2385109

IUPAC2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
SMILESC[C@H](NCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-10-13(16)14-8-5-9-17-14/h2-9,11,15H,10H2,1H3/t11-/m0/s1
InChIKeyFMQHPYQNLYHRBH-NSHDSACASA-N
MW245.35 g/mol
LogP3.28
Rot. Bonds5

About 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone

2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone (PubChem CID 2385109) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
PubChem CID2385109
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
SMILESC[C@H](NCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-10-13(16)14-8-5-9-17-14/h2-9,11,15H,10H2,1H3/t11-/m0/s1
InChIKeyFMQHPYQNLYHRBH-NSHDSACASA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[(1S)-1-phenylethyl]-4-thiophen-2-ylbutanamide
CID 2704695
2-oxo-N-(1-phenylethyl)-2-thiophen-2-ylacetamide
CID 82121215
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
1-(3-fluorophenyl)-2-(1-phenylethylamino)ethanone
CID 67351553
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
2-methyl-1-phenyl-4-thiophen-2-ylbutane-1,4-dione
CID 2802249
N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
CID 70634885

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone (CID 2385109) is 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone is C[C@H](NCC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone?
The InChIKey is FMQHPYQNLYHRBH-NSHDSACASA-N. The full InChI is InChI=1S/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-10-13(16)14-8-5-9-17-14/h2-9,11,15H,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone?
2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone has a molecular weight of 245.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 2385109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).