(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide

C19H22N2O2S — CID 92688715

IUPAC(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
SMILESCC(C)C[C@H](C(=O)NCc1cccs1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H22N2O2S/c1-13(2)10-17(18(22)20-11-15-7-5-9-24-15)21-12-14-6-3-4-8-16(14)19(21)23/h3-9,13,17H,10-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyWGLDWKDVMAZLKU-QGZVFWFLSA-N
MW342.46 g/mol
LogP3.43
Rot. Bonds6

About (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide

(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 92688715) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID92688715
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
SMILESCC(C)C[C@H](C(=O)NCc1cccs1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H22N2O2S/c1-13(2)10-17(18(22)20-11-15-7-5-9-24-15)21-12-14-6-3-4-8-16(14)19(21)23/h3-9,13,17H,10-12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyWGLDWKDVMAZLKU-QGZVFWFLSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20905682
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(3S)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 92690878
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 3711420
(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723
2-(3-oxo-1H-isoindol-2-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]butanamide
CID 74234179
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 162887653

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide (CID 92688715) is (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide is CC(C)C[C@H](C(=O)NCc1cccs1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is WGLDWKDVMAZLKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(2)10-17(18(22)20-11-15-7-5-9-24-15)21-12-14-6-3-4-8-16(14)19(21)23/h3-9,13,17H,10-12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide?
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 342.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 92688715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).