(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide

C16H17N3OS — CID 46883427

IUPAC(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C16H17N3OS/c17-11-13(9-12-5-2-1-3-6-12)19-16(20)15(18)10-14-7-4-8-21-14/h1-8,13,15H,9-10,18H2,(H,19,20)/t13-,15-/m0/s1
InChIKeyRIPMAEFOLLJUOL-ZFWWWQNUSA-N
MW299.40 g/mol
LogP1.87
Rot. Bonds6

About (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide

(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide (PubChem CID 46883427) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide
PubChem CID46883427
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C16H17N3OS/c17-11-13(9-12-5-2-1-3-6-12)19-16(20)15(18)10-14-7-4-8-21-14/h1-8,13,15H,9-10,18H2,(H,19,20)/t13-,15-/m0/s1
InChIKeyRIPMAEFOLLJUOL-ZFWWWQNUSA-N
XLogP1.87
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide (CID 46883427) is (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide is N#C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is RIPMAEFOLLJUOL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H17N3OS/c17-11-13(9-12-5-2-1-3-6-12)19-16(20)15(18)10-14-7-4-8-21-14/h1-8,13,15H,9-10,18H2,(H,19,20)/t13-,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).