4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide

C25H29N3O6S — CID 4844189

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H29N3O6S/c1-2-34-22-13-12-18(35(32,33)27-14-6-3-7-15-27)17-21(22)26-23(29)11-8-16-28-24(30)19-9-4-5-10-20(19)25(28)31/h4-5,9-10,12-13,17H,2-3,6-8,11,14-16H2,1H3,(H,26,29)
InChIKeyAZYCRODBHIMMPZ-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.27
Rot. Bonds9

About 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 4844189) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID4844189
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H29N3O6S/c1-2-34-22-13-12-18(35(32,33)27-14-6-3-7-15-27)17-21(22)26-23(29)11-8-16-28-24(30)19-9-4-5-10-20(19)25(28)31/h4-5,9-10,12-13,17H,2-3,6-8,11,14-16H2,1H3,(H,26,29)
InChIKeyAZYCRODBHIMMPZ-UHFFFAOYSA-N
XLogP3.27
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 30748289
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 4816933
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 26265706
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide (CID 4844189) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is AZYCRODBHIMMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-2-34-22-13-12-18(35(32,33)27-14-6-3-7-15-27)17-21(22)26-23(29)11-8-16-28-24(30)19-9-4-5-10-20(19)25(28)31/h4-5,9-10,12-13,17H,2-3,6-8,11,14-16H2,1H3,(H,26,29).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 499.59 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 4844189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).