[2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

C23H26N2O6S — CID 55322245

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C23H26N2O6S/c1-16-7-5-6-14-25(16)32(29,30)19-12-10-18(11-13-19)23(28)31-15-22(27)24-21-9-4-3-8-20(21)17(2)26/h3-4,8-13,16H,5-7,14-15H2,1-2H3,(H,24,27)
InChIKeyFCVZPYBFXDVHQP-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.25
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

[2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate (PubChem CID 55322245) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
PubChem CID55322245
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C23H26N2O6S/c1-16-7-5-6-14-25(16)32(29,30)19-12-10-18(11-13-19)23(28)31-15-22(27)24-21-9-4-3-8-20(21)17(2)26/h3-4,8-13,16H,5-7,14-15H2,1-2H3,(H,24,27)
InChIKeyFCVZPYBFXDVHQP-UHFFFAOYSA-N
XLogP3.25
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate 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-oxo-2-(propan-2-ylamino)ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881608
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46793806
2-(2-acetylphenoxy)ethyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 42902941
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881646
[2-(2-acetylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670960
[2-(dimethylamino)-2-oxoethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881585
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
(2-fluorophenyl)methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881717
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-(2-bromoanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 30522169
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 11918171
[2-(2-acetylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150970

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate (CID 55322245) is [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
The InChIKey is FCVZPYBFXDVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-16-7-5-6-14-25(16)32(29,30)19-12-10-18(11-13-19)23(28)31-15-22(27)24-21-9-4-3-8-20(21)17(2)26/h3-4,8-13,16H,5-7,14-15H2,1-2H3,(H,24,27).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate?
[2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate has a molecular weight of 458.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate is sourced from PubChem (CID 55322245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).