2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide

C17H20N4O4S — CID 167863015

IUPAC2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C17H20N4O4S/c1-21(2)26(24,25)14-10-6-9-13(11-14)17(23)20-19-15(16(18)22)12-7-4-3-5-8-12/h3-11,15,19H,1-2H3,(H2,18,22)(H,20,23)
InChIKeyDYSSNJCCJGCHPA-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.40
Rot. Bonds7

About 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide

2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide (PubChem CID 167863015) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide
PubChem CID167863015
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C17H20N4O4S/c1-21(2)26(24,25)14-10-6-9-13(11-14)17(23)20-19-15(16(18)22)12-7-4-3-5-8-12/h3-11,15,19H,1-2H3,(H2,18,22)(H,20,23)
InChIKeyDYSSNJCCJGCHPA-UHFFFAOYSA-N
XLogP0.40
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
2-[2-(4-methylbenzoyl)hydrazinyl]-2-phenylacetamide
CID 42939756
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
[(2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936150
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
N,N-dimethyl-3-[[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]carbamoyl]benzenesulfonamide
CID 56513539
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55603942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide?
The IUPAC name of 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide (CID 167863015) is 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide.
What is the SMILES notation for 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide?
The canonical SMILES for 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide is CN(C)S(=O)(=O)c1cccc(C(=O)NNC(C(N)=O)c2ccccc2)c1.
What is the InChIKey of 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide?
The InChIKey is DYSSNJCCJGCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-21(2)26(24,25)14-10-6-9-13(11-14)17(23)20-19-15(16(18)22)12-7-4-3-5-8-12/h3-11,15,19H,1-2H3,(H2,18,22)(H,20,23).
What are the key properties of 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide?
2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide has a molecular weight of 376.44 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-2-phenylacetamide is sourced from PubChem (CID 167863015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).