2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

C19H22N4O5S — CID 9305972

IUPAC2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C19H22N4O5S/c1-12(2)20-18(25)19(26)22-21-17(24)14-8-10-15(11-9-14)29(27,28)23-16-7-5-4-6-13(16)3/h4-12,23H,1-3H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyAFIPMGYQESFBNK-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.08
Rot. Bonds5

About 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 9305972) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID9305972
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C19H22N4O5S/c1-12(2)20-18(25)19(26)22-21-17(24)14-8-10-15(11-9-14)29(27,28)23-16-7-5-4-6-13(16)3/h4-12,23H,1-3H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyAFIPMGYQESFBNK-UHFFFAOYSA-N
XLogP1.08
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
1-tert-butyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]thiourea
CID 9275720
N-(1-cyclopropylethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 17467750
4-[(2-methylphenyl)sulfamoyl]-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 75871245
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358
4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-(2-methylphenyl)benzenesulfonamide
CID 24553526
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 9305972) is 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is AFIPMGYQESFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-12(2)20-18(25)19(26)22-21-17(24)14-8-10-15(11-9-14)29(27,28)23-16-7-5-4-6-13(16)3/h4-12,23H,1-3H3,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 418.48 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 9305972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).