N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

C22H23N3O5S — CID 4687588

IUPACN-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1
InChIInChI=1S/C22H23N3O5S/c1-2-15-6-3-4-13-25(15)31(29,30)16-11-9-14(10-12-16)20(26)23-18-8-5-7-17-19(18)22(28)24-21(17)27/h5,7-12,15H,2-4,6,13H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyHCFCAOHUYQIYTQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.78
Rot. Bonds5

About N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4687588) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4687588
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1
InChIInChI=1S/C22H23N3O5S/c1-2-15-6-3-4-13-25(15)31(29,30)16-11-9-14(10-12-16)20(26)23-18-8-5-7-17-19(18)22(28)24-21(17)27/h5,7-12,15H,2-4,6,13H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyHCFCAOHUYQIYTQ-UHFFFAOYSA-N
XLogP2.78
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
5-[(2R)-2-ethylpiperidin-1-yl]sulfonylisoindole-1,3-dione
CID 100820359
(2R)-N-(1,3-dioxoisoindol-4-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40924024
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16825437
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977195
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 4860087

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (CID 4687588) is N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is HCFCAOHUYQIYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-2-15-6-3-4-13-25(15)31(29,30)16-11-9-14(10-12-16)20(26)23-18-8-5-7-17-19(18)22(28)24-21(17)27/h5,7-12,15H,2-4,6,13H2,1H3,(H,23,26)(H,24,27,28).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 441.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4687588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).