(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide

C16H20N2OS — CID 39818323

IUPAC(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide
SMILESCc1cc(CN[C@@H](Cc2ccccc2)C(N)=O)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-11-8-14(12(2)20-11)10-18-15(16(17)19)9-13-6-4-3-5-7-13/h3-8,15,18H,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyOQXBHKNLXQYFIG-HNNXBMFYSA-N
MW288.42 g/mol
LogP2.55
Rot. Bonds6

About (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide

(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide (PubChem CID 39818323) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide
PubChem CID39818323
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide
SMILESCc1cc(CN[C@@H](Cc2ccccc2)C(N)=O)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-11-8-14(12(2)20-11)10-18-15(16(17)19)9-13-6-4-3-5-7-13/h3-8,15,18H,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1
InChIKeyOQXBHKNLXQYFIG-HNNXBMFYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide (CID 39818323) is (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide is Cc1cc(CN[C@@H](Cc2ccccc2)C(N)=O)c(C)s1.
What is the InChIKey of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide?
The InChIKey is OQXBHKNLXQYFIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-8-14(12(2)20-11)10-18-15(16(17)19)9-13-6-4-3-5-7-13/h3-8,15,18H,9-10H2,1-2H3,(H2,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide?
(2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide has a molecular weight of 288.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropanamide is sourced from PubChem (CID 39818323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).