N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide

C19H23N3O6S — CID 27693844

IUPACN-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H23N3O6S/c1-19(2,3)22-29(26,27)16-11-12(9-10-15(16)28-4)17(24)20-21-18(25)13-7-5-6-8-14(13)23/h5-11,22-23H,1-4H3,(H,20,24)(H,21,25)
InChIKeyCZFDYWXDUYFLSV-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.55
Rot. Bonds5

About N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide

N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide (PubChem CID 27693844) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
PubChem CID27693844
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C19H23N3O6S/c1-19(2,3)22-29(26,27)16-11-12(9-10-15(16)28-4)17(24)20-21-18(25)13-7-5-6-8-14(13)23/h5-11,22-23H,1-4H3,(H,20,24)(H,21,25)
InChIKeyCZFDYWXDUYFLSV-UHFFFAOYSA-N
XLogP1.55
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide 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

5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598
3-(tert-butylsulfamoyl)-4-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 39731063
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
3-(tert-butylsulfamoyl)-4-methoxy-N-pentylbenzamide
CID 35812177
3-(tert-butylsulfamoyl)-N-(4-carbamoyl-3-methylphenyl)-4-methoxybenzamide
CID 56516978
3-(tert-butylsulfamoyl)-4-methoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55987169
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide (CID 27693844) is N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide is COc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
The InChIKey is CZFDYWXDUYFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-19(2,3)22-29(26,27)16-11-12(9-10-15(16)28-4)17(24)20-21-18(25)13-7-5-6-8-14(13)23/h5-11,22-23H,1-4H3,(H,20,24)(H,21,25).
What are the key properties of N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide?
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 27693844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).