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

C20H22N2O2S — CID 92721997

IUPAC(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1cccc(SC)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H22N2O2S/c1-3-7-18(19(23)21-15-9-6-10-16(12-15)25-2)22-13-14-8-4-5-11-17(14)20(22)24/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyNTVVSHMHWAQVRK-GOSISDBHSA-N
MW354.48 g/mol
LogP4.17
Rot. Bonds6

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

(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 92721997) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID92721997
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1cccc(SC)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H22N2O2S/c1-3-7-18(19(23)21-15-9-6-10-16(12-15)25-2)22-13-14-8-4-5-11-17(14)20(22)24/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyNTVVSHMHWAQVRK-GOSISDBHSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905757
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 22524598
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46278142
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 20905699
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688946
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
CID 56933248

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 92721997) is (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CCC[C@H](C(=O)Nc1cccc(SC)c1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is NTVVSHMHWAQVRK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-7-18(19(23)21-15-9-6-10-16(12-15)25-2)22-13-14-8-4-5-11-17(14)20(22)24/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 354.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 92721997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).