4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C21H24N2O2S — CID 20905757

IUPAC4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCSc1cccc(NC(=O)C(CC(C)C)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C21H24N2O2S/c1-14(2)11-19(20(24)22-16-8-6-9-17(12-16)26-3)23-13-15-7-4-5-10-18(15)21(23)25/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,24)
InChIKeyLJISDNBLCSRHPI-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.42
Rot. Bonds6

About 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 20905757) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID20905757
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCSc1cccc(NC(=O)C(CC(C)C)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C21H24N2O2S/c1-14(2)11-19(20(24)22-16-8-6-9-17(12-16)26-3)23-13-15-7-4-5-10-18(15)21(23)25/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,24)
InChIKeyLJISDNBLCSRHPI-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92721997
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 20905699
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 71964724
2-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)-4-methylpentanamide
CID 19167534

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 20905757) is 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CSc1cccc(NC(=O)C(CC(C)C)N2Cc3ccccc3C2=O)c1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is LJISDNBLCSRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(2)11-19(20(24)22-16-8-6-9-17(12-16)26-3)23-13-15-7-4-5-10-18(15)21(23)25/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,24).
What are the key properties of 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 368.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 20905757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).