[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate

C19H21N3O6S — CID 7829811

IUPAC[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate
SMILESCC(=O)NNC(=O)COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H21N3O6S/c1-13(15-7-4-3-5-8-15)22-29(26,27)17-10-6-9-16(11-17)19(25)28-12-18(24)21-20-14(2)23/h3-11,13,22H,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyLGHNMRVXHGVDIX-CYBMUJFWSA-N
MW419.46 g/mol
LogP1.05
Rot. Bonds7

About [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate

[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate (PubChem CID 7829811) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate
PubChem CID7829811
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate
SMILESCC(=O)NNC(=O)COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H21N3O6S/c1-13(15-7-4-3-5-8-15)22-29(26,27)17-10-6-9-16(11-17)19(25)28-12-18(24)21-20-14(2)23/h3-11,13,22H,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1
InChIKeyLGHNMRVXHGVDIX-CYBMUJFWSA-N
XLogP1.05
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 3-[[(1S)-1-phenylethyl]sulfamoyl]benzoate
CID 7829829
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(1-phenylethylsulfamoyl)benzoate
CID 42902900
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 55402128
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768418
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
3-pyridin-3-ylpropyl 3-(1-phenylethylsulfamoyl)benzoate
CID 78835869
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768037
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2642182
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2417052
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate?
The IUPAC name of [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate (CID 7829811) is [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate.
What is the SMILES notation for [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate?
The canonical SMILES for [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate is CC(=O)NNC(=O)COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate?
The InChIKey is LGHNMRVXHGVDIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13(15-7-4-3-5-8-15)22-29(26,27)17-10-6-9-16(11-17)19(25)28-12-18(24)21-20-14(2)23/h3-11,13,22H,12H2,1-2H3,(H,20,23)(H,21,24)/t13-/m1/s1.
What are the key properties of [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate?
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate has a molecular weight of 419.46 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylhydrazinyl)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate is sourced from PubChem (CID 7829811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).