(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide

C15H14N2O2S — CID 7119786

IUPAC(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCOc1cccc(NC(=O)[C@@H](C#N)Cc2cccs2)c1
InChIInChI=1S/C15H14N2O2S/c1-19-13-5-2-4-12(9-13)17-15(18)11(10-16)8-14-6-3-7-20-14/h2-7,9,11H,8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyJWTLXOFLYMCGKZ-LLVKDONJSA-N
MW286.36 g/mol
LogP3.08
Rot. Bonds5

About (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide

(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 7119786) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide
PubChem CID7119786
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCOc1cccc(NC(=O)[C@@H](C#N)Cc2cccs2)c1
InChIInChI=1S/C15H14N2O2S/c1-19-13-5-2-4-12(9-13)17-15(18)11(10-16)8-14-6-3-7-20-14/h2-7,9,11H,8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyJWTLXOFLYMCGKZ-LLVKDONJSA-N
XLogP3.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516784
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631489
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975
2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 51086382
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 38033802
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide (CID 7119786) is (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide is COc1cccc(NC(=O)[C@@H](C#N)Cc2cccs2)c1.
What is the InChIKey of (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is JWTLXOFLYMCGKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-13-5-2-4-12(9-13)17-15(18)11(10-16)8-14-6-3-7-20-14/h2-7,9,11H,8H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide?
(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 286.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 7119786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).