2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C24H30N4O5S — CID 41190138

IUPAC2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1
InChIInChI=1S/C24H30N4O5S/c25-34(31,32)19-10-8-18(9-11-19)12-13-26-23(29)17-28-16-22(24(30)27-14-4-1-5-15-27)33-21-7-3-2-6-20(21)28/h2-3,6-11,22H,1,4-5,12-17H2,(H,26,29)(H2,25,31,32)/t22-/m1/s1
InChIKeyNMHZICPOAYLILP-JOCHJYFZSA-N
MW486.59 g/mol
LogP1.27
Rot. Bonds7

About 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 41190138) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID41190138
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1
InChIInChI=1S/C24H30N4O5S/c25-34(31,32)19-10-8-18(9-11-19)12-13-26-23(29)17-28-16-22(24(30)27-14-4-1-5-15-27)33-21-7-3-2-6-20(21)28/h2-3,6-11,22H,1,4-5,12-17H2,(H,26,29)(H2,25,31,32)/t22-/m1/s1
InChIKeyNMHZICPOAYLILP-JOCHJYFZSA-N
XLogP1.27
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 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

N-(benzylcarbamoyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46615398
N-(2,6-diethylphenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 26668563
2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46615381
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2120588
N-(2,3-dichlorophenyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25360457
N-[3-(hydroxyamino)phenyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 144994892
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25329496
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 51887165
N-[1-(2-chlorophenyl)ethyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46647086
N-[3-(methylamino)phenyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 144994929
N-methyl-4-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46615296

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 41190138) is 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1.
What is the InChIKey of 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is NMHZICPOAYLILP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O5S/c25-34(31,32)19-10-8-18(9-11-19)12-13-26-23(29)17-28-16-22(24(30)27-14-4-1-5-15-27)33-21-7-3-2-6-20(21)28/h2-3,6-11,22H,1,4-5,12-17H2,(H,26,29)(H2,25,31,32)/t22-/m1/s1.
What are the key properties of 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 41190138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).