(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

C19H26N2O4S — CID 20862871

IUPAC(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCS(=O)(=O)CC[C@@H](C(=O)NC1CCCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H26N2O4S/c1-26(24,25)12-11-17(18(22)20-15-8-3-2-4-9-15)21-13-14-7-5-6-10-16(14)19(21)23/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyNUOZSDKFMDYPLF-KRWDZBQOSA-N
MW378.49 g/mol
LogP1.89
Rot. Bonds6

About (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 20862871) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID20862871
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCS(=O)(=O)CC[C@@H](C(=O)NC1CCCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H26N2O4S/c1-26(24,25)12-11-17(18(22)20-15-8-3-2-4-9-15)21-13-14-7-5-6-10-16(14)19(21)23/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyNUOZSDKFMDYPLF-KRWDZBQOSA-N
XLogP1.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetamidophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688818
(2S)-N-(4-bromophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688824
N-[2-(4-benzylpiperidin-1-yl)ethyl]-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 20905878
(2S)-N-(5-methyl-2-pyridinyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688754
4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1-thiophen-2-ylethyl)butanamide
CID 75155964
N-(6-methyl-2-pyridinyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 20905804
(2R)-N-(3-chloro-4-fluorophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688803
2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl)-3H-isoindol-1-one
CID 20905838
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclopentyl-4-methylsulfonylbutanamide
CID 1256669
2-[1-(4-benzylpiperazin-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 20905840
3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
CID 3571092

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 20862871) is (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is CS(=O)(=O)CC[C@@H](C(=O)NC1CCCCC1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is NUOZSDKFMDYPLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-26(24,25)12-11-17(18(22)20-15-8-3-2-4-9-15)21-13-14-7-5-6-10-16(14)19(21)23/h5-7,10,15,17H,2-4,8-9,11-13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 378.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 20862871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).