2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide

C22H23N3O4S — CID 55955299

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
SMILESCCn1cc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C22H23N3O4S/c1-4-25-14-17(11-12-21(25)26)23-22(27)18-7-5-6-8-19(18)24-30(28,29)20-13-15(2)9-10-16(20)3/h5-14,24H,4H2,1-3H3,(H,23,27)
InChIKeyHEINITPXUDHNDE-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.54
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 55955299) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
PubChem CID55955299
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
SMILESCCn1cc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)ccc1=O
InChIInChI=1S/C22H23N3O4S/c1-4-25-14-17(11-12-21(25)26)23-22(27)18-7-5-6-8-19(18)24-30(28,29)20-13-15(2)9-10-16(20)3/h5-14,24H,4H2,1-3H3,(H,23,27)
InChIKeyHEINITPXUDHNDE-UHFFFAOYSA-N
XLogP3.54
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(methylamino)benzamide
CID 61378041
N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55629211
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 35990962
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55959451
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide (CID 55955299) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide is CCn1cc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)ccc1=O.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is HEINITPXUDHNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-4-25-14-17(11-12-21(25)26)23-22(27)18-7-5-6-8-19(18)24-30(28,29)20-13-15(2)9-10-16(20)3/h5-14,24H,4H2,1-3H3,(H,23,27).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 55955299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).