N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C25H29N3O5S — CID 16599990

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H29N3O5S/c1-3-33-22-12-11-19(17-23(22)34(31,32)27-14-7-4-8-15-27)26-24(29)13-16-28-18(2)20-9-5-6-10-21(20)25(28)30/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,29)
InChIKeyMCGIXOJUGHNOHF-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.72
Rot. Bonds8

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 16599990) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID16599990
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C25H29N3O5S/c1-3-33-22-12-11-19(17-23(22)34(31,32)27-14-7-4-8-15-27)26-24(29)13-16-28-18(2)20-9-5-6-10-21(20)25(28)30/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,29)
InChIKeyMCGIXOJUGHNOHF-UHFFFAOYSA-N
XLogP3.72
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
tert-butyl N-[3-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]carbamate
CID 31361726
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599722
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591753

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 16599990) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is MCGIXOJUGHNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-3-33-22-12-11-19(17-23(22)34(31,32)27-14-7-4-8-15-27)26-24(29)13-16-28-18(2)20-9-5-6-10-21(20)25(28)30/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,29).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 483.59 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 16599990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).