[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate

C25H30N2O6S — CID 42978106

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCCC1CCCCN1C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H30N2O6S/c1-3-21-6-4-5-17-27(21)24(28)18-33-25(29)16-9-19-7-14-23(15-8-19)34(30,31)26-20-10-12-22(32-2)13-11-20/h7-16,21,26H,3-6,17-18H2,1-2H3/b16-9+
InChIKeyAXOJLQKFJQLZLB-CXUHLZMHSA-N
MW486.59 g/mol
LogP3.84
Rot. Bonds9

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate (PubChem CID 42978106) has the molecular formula C25H30N2O6S and a molecular weight of 486.59 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
PubChem CID42978106
Molecular FormulaC25H30N2O6S
Molecular Weight486.59 g/mol
Exact Mass486.18
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCCC1CCCCN1C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H30N2O6S/c1-3-21-6-4-5-17-27(21)24(28)18-33-25(29)16-9-19-7-14-23(15-8-19)34(30,31)26-20-10-12-22(32-2)13-11-20/h7-16,21,26H,3-6,17-18H2,1-2H3/b16-9+
InChIKeyAXOJLQKFJQLZLB-CXUHLZMHSA-N
XLogP3.84
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate 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

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664788
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 43029907
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519063
(2-ethyl-1,3-thiazol-4-yl)methyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 24670798
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate
CID 8675061
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4803375
N-[[(2R)-1-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 97433339
ethyl 5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoate
CID 72747886

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate (CID 42978106) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate is CCC1CCCCN1C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
The InChIKey is AXOJLQKFJQLZLB-CXUHLZMHSA-N. The full InChI is InChI=1S/C25H30N2O6S/c1-3-21-6-4-5-17-27(21)24(28)18-33-25(29)16-9-19-7-14-23(15-8-19)34(30,31)26-20-10-12-22(32-2)13-11-20/h7-16,21,26H,3-6,17-18H2,1-2H3/b16-9+.
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate has a molecular weight of 486.59 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate is sourced from PubChem (CID 42978106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).