N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H14N4O6S — CID 56582601

IUPACN-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C19H14N4O6S/c1-10-16(9-20-29-10)19(26)21-11-2-4-12(5-3-11)23-30(27,28)13-6-7-14-15(8-13)18(25)22-17(14)24/h2-9,23H,1H3,(H,21,26)(H,22,24,25)
InChIKeyHIFSVWDOXKDXTG-UHFFFAOYSA-N
MW426.41 g/mol
LogP1.92
Rot. Bonds5

About N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 56582601) has the molecular formula C19H14N4O6S and a molecular weight of 426.41 g/mol. Its IUPAC name is N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID56582601
Molecular FormulaC19H14N4O6S
Molecular Weight426.41 g/mol
Exact Mass426.06
IUPAC NameN-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C19H14N4O6S/c1-10-16(9-20-29-10)19(26)21-11-2-4-12(5-3-11)23-30(27,28)13-6-7-14-15(8-13)18(25)22-17(14)24/h2-9,23H,1H3,(H,21,26)(H,22,24,25)
InChIKeyHIFSVWDOXKDXTG-UHFFFAOYSA-N
XLogP1.92
TPSA147.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
5-methyl-N-[3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689679
N-[4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 86934831
N-[3-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689645
1-[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-phenylurea
CID 56560659
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-[4-[(4-carbamoylphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864760

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 56582601) is N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HIFSVWDOXKDXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O6S/c1-10-16(9-20-29-10)19(26)21-11-2-4-12(5-3-11)23-30(27,28)13-6-7-14-15(8-13)18(25)22-17(14)24/h2-9,23H,1H3,(H,21,26)(H,22,24,25).
What are the key properties of N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56582601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).