3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide

C22H26N2O5S — CID 97307677

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
SMILESCOc1ccc([C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1
InChIInChI=1S/C22H26N2O5S/c1-15(2)20(16-9-11-17(29-3)12-10-16)23-30(27,28)14-6-13-24-21(25)18-7-4-5-8-19(18)22(24)26/h4-5,7-12,15,20,23H,6,13-14H2,1-3H3/t20-/m1/s1
InChIKeyGWDSRZKHERIWSU-HXUWFJFHSA-N
MW430.53 g/mol
LogP3.00
Rot. Bonds9

About 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide

3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide (PubChem CID 97307677) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
PubChem CID97307677
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
SMILESCOc1ccc([C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1
InChIInChI=1S/C22H26N2O5S/c1-15(2)20(16-9-11-17(29-3)12-10-16)23-30(27,28)14-6-13-24-21(25)18-7-4-5-8-19(18)22(24)26/h4-5,7-12,15,20,23H,6,13-14H2,1-3H3/t20-/m1/s1
InChIKeyGWDSRZKHERIWSU-HXUWFJFHSA-N
XLogP3.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 18200491
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 51249152
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
CID 24626994
10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-methoxyphenyl)phosphanium
CID 70693782
N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
CID 120711592
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
5-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluoro-3-propoxyphenyl)ethyl]pentane-1-sulfonamide
CID 134544090

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide (CID 97307677) is 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide is COc1ccc([C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)C)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide?
The InChIKey is GWDSRZKHERIWSU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-15(2)20(16-9-11-17(29-3)12-10-16)23-30(27,28)14-6-13-24-21(25)18-7-4-5-8-19(18)22(24)26/h4-5,7-12,15,20,23H,6,13-14H2,1-3H3/t20-/m1/s1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide?
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide is sourced from PubChem (CID 97307677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).