N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide

C28H24N6O4S2 — CID 22103483

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNc2cc(-c3cccs3)[nH]n2)c1C
InChIInChI=1S/C28H24N6O4S2/c1-17-18(2)33-38-27(17)34-40(35,36)25-8-4-3-6-22(25)21-10-9-19(28-29-11-12-37-28)14-20(21)16-30-26-15-23(31-32-26)24-7-5-13-39-24/h3-15,34H,16H2,1-2H3,(H2,30,31,32)
InChIKeyONXMZUQAVIXJEJ-UHFFFAOYSA-N
MW572.67 g/mol
LogP6.48
Rot. Bonds9

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide (PubChem CID 22103483) has the molecular formula C28H24N6O4S2 and a molecular weight of 572.67 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide
PubChem CID22103483
Molecular FormulaC28H24N6O4S2
Molecular Weight572.67 g/mol
Exact Mass572.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNc2cc(-c3cccs3)[nH]n2)c1C
InChIInChI=1S/C28H24N6O4S2/c1-17-18(2)33-38-27(17)34-40(35,36)25-8-4-3-6-22(25)21-10-9-19(28-29-11-12-37-28)14-20(21)16-30-26-15-23(31-32-26)24-7-5-13-39-24/h3-15,34H,16H2,1-2H3,(H2,30,31,32)
InChIKeyONXMZUQAVIXJEJ-UHFFFAOYSA-N
XLogP6.48
TPSA138.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(pyrimidin-4-ylamino)methyl]phenyl]benzenesulfonamide
CID 10973161
4''-Oxazol-2-yl-2''-(3-trifluoromethyl-pyrazol-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 11124425
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 11730445
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 11762890
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N-methyl-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 22103592
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 22103773
2-[2-[[(4-bromo-1H-pyrazol-5-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 22103490
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(3-phenylpyrazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 22103491
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(5-methyltetrazol-2-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 22103523
N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 22103528
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[(3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 22103544
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[(5-methyltetrazol-1-yl)methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 22103546

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide (CID 22103483) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNc2cc(-c3cccs3)[nH]n2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide?
The InChIKey is ONXMZUQAVIXJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O4S2/c1-17-18(2)33-38-27(17)34-40(35,36)25-8-4-3-6-22(25)21-10-9-19(28-29-11-12-37-28)14-20(21)16-30-26-15-23(31-32-26)24-7-5-13-39-24/h3-15,34H,16H2,1-2H3,(H2,30,31,32).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide has a molecular weight of 572.67 g/mol, XLogP of 6.48, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-2-yl)-2-[[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 22103483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).