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

C20H19N3OS — CID 46883429

IUPAC(2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C20H19N3OS/c21-13-17(23-20(24)19(22)12-18-6-3-9-25-18)11-14-7-8-15-4-1-2-5-16(15)10-14/h1-10,17,19H,11-12,22H2,(H,23,24)/t17-,19-/m0/s1
InChIKeyFFAORJHWGHHDFM-HKUYNNGSSA-N
MW349.46 g/mol
LogP3.02
Rot. Bonds6

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

(2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide (PubChem CID 46883429) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide
PubChem CID46883429
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide
SMILESN#C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)Cc1cccs1
InChIInChI=1S/C20H19N3OS/c21-13-17(23-20(24)19(22)12-18-6-3-9-25-18)11-14-7-8-15-4-1-2-5-16(15)10-14/h1-10,17,19H,11-12,22H2,(H,23,24)/t17-,19-/m0/s1
InChIKeyFFAORJHWGHHDFM-HKUYNNGSSA-N
XLogP3.02
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)ethyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-5-(methylamino)hex-2-enamide
CID 10345516
(S)-2-amino-N-((S)-1-cyano-2-(5-phenylthiophen-2-yl)ethyl)-3-(thiophen-2-yl)propanamide
CID 46883464
(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
cis-(S)-2-amino-N-((1S,2S)-1-cyano-2-phenylcyclopropyl)-3-(thiophen-2-yl)propanamide
CID 46883470
(R)-5-amino-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)ethyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)hex-2-enamide
CID 10600702
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 10649999
(2S)-2-amino-3-(naphthalen-2-yl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 23645391
Cis-(S)-2-amino-N-((1R,2R)-1-cyano-2-phenylcyclopropyl)-3-(thiophen-2-yl)propanamide
CID 24822701
(S)-2-amino-N-((S)-1-cyano-2,2-diphenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883425
(S)-2-amino-N-((S)-1-cyano-3-phenylpropyl)-3-(thiophen-2-yl)propanamide
CID 46883428
(2S)-1-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]pyrrolidine-2-carbonitrile
CID 76318341
propionyl-2Nal-2Thi-Lys-NHbenzhydryl
CID 145963241

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide (CID 46883429) is (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide is N#C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](N)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is FFAORJHWGHHDFM-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H19N3OS/c21-13-17(23-20(24)19(22)12-18-6-3-9-25-18)11-14-7-8-15-4-1-2-5-16(15)10-14/h1-10,17,19H,11-12,22H2,(H,23,24)/t17-,19-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide?
(2S)-2-amino-N-[(1S)-1-cyano-2-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 3.02, 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-naphthalen-2-ylethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46883429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).