N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide

C23H20N2O4S — CID 24757472

IUPACN-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
SMILESCC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H20N2O4S/c1-16(22(26)24-30(28,29)20-8-3-2-4-9-20)17-11-13-19(14-12-17)25-15-18-7-5-6-10-21(18)23(25)27/h2-14,16H,15H2,1H3,(H,24,26)
InChIKeyVJLZDTSYQWQBBI-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.46
Rot. Bonds5

About N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide

N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide (PubChem CID 24757472) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
PubChem CID24757472
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide
SMILESCC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc(N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H20N2O4S/c1-16(22(26)24-30(28,29)20-8-3-2-4-9-20)17-11-13-19(14-12-17)25-15-18-7-5-6-10-21(18)23(25)27/h2-14,16H,15H2,1H3,(H,24,26)
InChIKeyVJLZDTSYQWQBBI-UHFFFAOYSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 22170620
2-[4-(3-oxo-1H-isoindol-2-yl)phenoxy]propanoic acid
CID 71339265
butanedioic acid;(2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 56652023
3,3,4,4,4-pentadeuterio-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 163322451
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
2-[4-[4-(4-methylphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757048
2-[4-[(2S)-1,1-bis(benzenesulfonyl)-1-fluorobut-3-en-2-yl]phenyl]-3H-isoindol-1-one
CID 44519822
nitric acid;2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
CID 56652366
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
CID 56624959
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
CID 22971398
2-[4-[4-(4-methoxyphenyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid
CID 24757049

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The IUPAC name of N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide (CID 24757472) is N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide is CC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc(N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
The InChIKey is VJLZDTSYQWQBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-16(22(26)24-30(28,29)20-8-3-2-4-9-20)17-11-13-19(14-12-17)25-15-18-7-5-6-10-21(18)23(25)27/h2-14,16H,15H2,1H3,(H,24,26).
What are the key properties of N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide?
N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide has a molecular weight of 420.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanamide is sourced from PubChem (CID 24757472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).