(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C19H20N4O3S — CID 41397353

IUPAC(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCOc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1=O
InChIInChI=1S/C19H20N4O3S/c1-12(18(25)22-19-13(11-20)7-9-27-19)21-14-5-6-15(16(10-14)26-2)23-8-3-4-17(23)24/h5-7,9-10,12,21H,3-4,8H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyZQVQUPHOAFHYOP-GFCCVEGCSA-N
MW384.46 g/mol
LogP3.19
Rot. Bonds6

About (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 41397353) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID41397353
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCOc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1=O
InChIInChI=1S/C19H20N4O3S/c1-12(18(25)22-19-13(11-20)7-9-27-19)21-14-5-6-15(16(10-14)26-2)23-8-3-4-17(23)24/h5-7,9-10,12,21H,3-4,8H2,1-2H3,(H,22,25)/t12-/m1/s1
InChIKeyZQVQUPHOAFHYOP-GFCCVEGCSA-N
XLogP3.19
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493763
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 41397393
N-(3-cyanothiophen-2-yl)-2-(3-methyl-4-pyrrolidin-1-ylanilino)propanamide
CID 42926962
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 41397253
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(2-oxopiperidin-1-yl)benzoate
CID 35204029
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3-cyanothiophen-2-yl)propanamide
CID 45353966
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
CID 42935065

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 41397353) is (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is COc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1=O.
What is the InChIKey of (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is ZQVQUPHOAFHYOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12(18(25)22-19-13(11-20)7-9-27-19)21-14-5-6-15(16(10-14)26-2)23-8-3-4-17(23)24/h5-7,9-10,12,21H,3-4,8H2,1-2H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 384.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanothiophen-2-yl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 41397353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).