(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide

C16H16N2O2S — CID 863429

IUPAC(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C#N)Cc1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-20-15-8-4-3-7-14(15)18-16(19)12(11-17)10-13-6-5-9-21-13/h3-9,12H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyRGQDHVKLVLSMGI-LBPRGKRZSA-N
MW300.38 g/mol
LogP3.47
Rot. Bonds6

About (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide

(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 863429) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
PubChem CID863429
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C#N)Cc1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-20-15-8-4-3-7-14(15)18-16(19)12(11-17)10-13-6-5-9-21-13/h3-9,12H,2,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyRGQDHVKLVLSMGI-LBPRGKRZSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 73253951
(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2R)-2-cyano-N-(3-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 7119786
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516835
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
3-(4-chlorophenyl)-2-cyano-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 51086465
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2R)-2-cyano-3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 98450338
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962812
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide (CID 863429) is (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide is CCOc1ccccc1NC(=O)[C@H](C#N)Cc1cccs1.
What is the InChIKey of (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is RGQDHVKLVLSMGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-20-15-8-4-3-7-14(15)18-16(19)12(11-17)10-13-6-5-9-21-13/h3-9,12H,2,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide?
(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 863429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).