N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

C23H22N4O4S2 — CID 22587638

IUPACN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4nc(C)ccc4o3)cc2)c(C)c1
InChIInChI=1S/C23H22N4O4S2/c1-14-4-10-19(15(2)12-14)27-33(29,30)18-8-6-17(7-9-18)25-21(28)13-32-23-26-22-20(31-23)11-5-16(3)24-22/h4-12,27H,13H2,1-3H3,(H,25,28)
InChIKeyFSXWGDQNQHCZQT-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.68
Rot. Bonds7

About N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 22587638) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID22587638
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4nc(C)ccc4o3)cc2)c(C)c1
InChIInChI=1S/C23H22N4O4S2/c1-14-4-10-19(15(2)12-14)27-33(29,30)18-8-6-17(7-9-18)25-21(28)13-32-23-26-22-20(31-23)11-5-16(3)24-22/h4-12,27H,13H2,1-3H3,(H,25,28)
InChIKeyFSXWGDQNQHCZQT-UHFFFAOYSA-N
XLogP4.68
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
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CID 28580204
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CID 42026326
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CID 28589582
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CID 22587628
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CID 16533327
N-(4-chlorophenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide (CID 22587638) is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4nc(C)ccc4o3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is FSXWGDQNQHCZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-14-4-10-19(15(2)12-14)27-33(29,30)18-8-6-17(7-9-18)25-21(28)13-32-23-26-22-20(31-23)11-5-16(3)24-22/h4-12,27H,13H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide?
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 482.59 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 22587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).