(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide

C20H22N2OS — CID 8718468

IUPAC(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
SMILESCCN(Cc1cccs1)[C@@H](C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-3-22(14-17-10-7-13-24-17)15(2)20(23)21-19-12-6-9-16-8-4-5-11-18(16)19/h4-13,15H,3,14H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyZZXWZWGPMPHJRV-HNNXBMFYSA-N
MW338.48 g/mol
LogP4.75
Rot. Bonds6

About (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide

(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide (PubChem CID 8718468) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
PubChem CID8718468
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
SMILESCCN(Cc1cccs1)[C@@H](C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-3-22(14-17-10-7-13-24-17)15(2)20(23)21-19-12-6-9-16-8-4-5-11-18(16)19/h4-13,15H,3,14H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyZZXWZWGPMPHJRV-HNNXBMFYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8718481
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 8718457
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 86909948
N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
CID 110880711
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5020779
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8718360
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[ethyl(thiophen-2-ylmethyl)amino]propanamide
CID 112798578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide (CID 8718468) is (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide is CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide?
The InChIKey is ZZXWZWGPMPHJRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-3-22(14-17-10-7-13-24-17)15(2)20(23)21-19-12-6-9-16-8-4-5-11-18(16)19/h4-13,15H,3,14H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide?
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide has a molecular weight of 338.48 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 8718468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).