2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C24H26N4O7S2 — CID 25181081

IUPAC2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
InChIKeyLQNSDZTXHZUYKJ-UHFFFAOYSA-N
MW546.63 g/mol
LogP0.86
Rot. Bonds11

About 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 25181081) has the molecular formula C24H26N4O7S2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID25181081
Molecular FormulaC24H26N4O7S2
Molecular Weight546.63 g/mol
Exact Mass546.12
IUPAC Name2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33)
InChIKeyLQNSDZTXHZUYKJ-UHFFFAOYSA-N
XLogP0.86
TPSA175.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.63
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171279
([2-(Carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid
CID 4121769
(2R)-N-[(2S)-3-cyclohexyl-1-oxo-1-[[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]amino]propan-2-yl]-N'-hydroxy-2-[3-(4-methylphenyl)propyl]butanediamide
CID 44315084
(R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hydroxybutanamide
CID 45380190
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-phenylacetamide
CID 2569005
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
((2-{Carboxymethyl-[2-(carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid
CID 11115351
(2R)-((4-biphenylylsulfonyl)amino)-N-hydroxy-3-phenylpropionamide
CID 9822095
(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
CID 25102051
N~2~-methyl-N-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2188522

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 25181081) is 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN(CC(=O)NO)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is LQNSDZTXHZUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O7S2/c25-36(32,33)21-10-6-18(7-11-21)14-15-26-23(29)16-28(17-24(30)27-31)37(34,35)22-12-8-20(9-13-22)19-4-2-1-3-5-19/h1-13,31H,14-17H2,(H,26,29)(H,27,30)(H2,25,32,33).
What are the key properties of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 546.63 g/mol, XLogP of 0.86, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 25181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).