5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide

C24H26N4O4S — CID 37119295

IUPAC5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C24H26N4O4S/c1-16-10-11-19(24(2,3)4)14-21(16)33(31,32)28-20-9-5-7-17(13-20)22(29)26-27-23(30)18-8-6-12-25-15-18/h5-15,28H,1-4H3,(H,26,29)(H,27,30)
InChIKeyJPCYIEZMZCHDAD-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.56
Rot. Bonds5

About 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide

5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide (PubChem CID 37119295) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
PubChem CID37119295
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C24H26N4O4S/c1-16-10-11-19(24(2,3)4)14-21(16)33(31,32)28-20-9-5-7-17(13-20)22(29)26-27-23(30)18-8-6-12-25-15-18/h5-15,28H,1-4H3,(H,26,29)(H,27,30)
InChIKeyJPCYIEZMZCHDAD-UHFFFAOYSA-N
XLogP3.56
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.56
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-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55947245
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 146127486
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
N-[4-[[[2-(3-bromophenoxy)acetyl]amino]carbamoyl]phenyl]-5-tert-butyl-2-methylbenzenesulfonamide
CID 4844443
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
CID 2107998
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
5-tert-butyl-2-methyl-N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 46657389
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide (CID 37119295) is 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cccnc2)c1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
The InChIKey is JPCYIEZMZCHDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16-10-11-19(24(2,3)4)14-21(16)33(31,32)28-20-9-5-7-17(13-20)22(29)26-27-23(30)18-8-6-12-25-15-18/h5-15,28H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide?
5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 37119295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).