2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide

C24H29N3O6S — CID 108735914

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide
SMILESCCC(C)C(C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H29N3O6S/c1-4-16(2)21(27-23(29)19-7-5-6-8-20(19)24(27)30)22(28)25-15-17-9-11-18(12-10-17)34(31,32)26-13-14-33-3/h5-12,16,21,26H,4,13-15H2,1-3H3,(H,25,28)
InChIKeySVNIOHHGUBWHOD-UHFFFAOYSA-N
MW487.58 g/mol
LogP1.94
Rot. Bonds11

About 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide

2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide (PubChem CID 108735914) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide
PubChem CID108735914
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide
SMILESCCC(C)C(C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H29N3O6S/c1-4-16(2)21(27-23(29)19-7-5-6-8-20(19)24(27)30)22(28)25-15-17-9-11-18(12-10-17)34(31,32)26-13-14-33-3/h5-12,16,21,26H,4,13-15H2,1-3H3,(H,25,28)
InChIKeySVNIOHHGUBWHOD-UHFFFAOYSA-N
XLogP1.94
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110839448
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108759067
(2S)-2-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119736094
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55783917
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 108736019
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 108735916

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide (CID 108735914) is 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide is CCC(C)C(C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide?
The InChIKey is SVNIOHHGUBWHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-4-16(2)21(27-23(29)19-7-5-6-8-20(19)24(27)30)22(28)25-15-17-9-11-18(12-10-17)34(31,32)26-13-14-33-3/h5-12,16,21,26H,4,13-15H2,1-3H3,(H,25,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide has a molecular weight of 487.58 g/mol, XLogP of 1.94, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 108735914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).