N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide

C21H22N4O7S2 — CID 134990519

IUPACN-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(c2nc(C)c(C)o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H22N4O7S2/c1-13-14(2)32-21(22-13)25(33(28,29)19-9-5-17(6-10-19)23-15(3)26)34(30,31)20-11-7-18(8-12-20)24-16(4)27/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeyUPRUOKKXMKAWCL-UHFFFAOYSA-N
MW506.56 g/mol
LogP2.79
Rot. Bonds7

About N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide

N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 134990519) has the molecular formula C21H22N4O7S2 and a molecular weight of 506.56 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID134990519
Molecular FormulaC21H22N4O7S2
Molecular Weight506.56 g/mol
Exact Mass506.09
IUPAC NameN-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(c2nc(C)c(C)o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H22N4O7S2/c1-13-14(2)32-21(22-13)25(33(28,29)19-9-5-17(6-10-19)23-15(3)26)34(30,31)20-11-7-18(8-12-20)24-16(4)27/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeyUPRUOKKXMKAWCL-UHFFFAOYSA-N
XLogP2.79
TPSA155.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide (CID 134990519) is N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(c2nc(C)c(C)o2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is UPRUOKKXMKAWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O7S2/c1-13-14(2)32-21(22-13)25(33(28,29)19-9-5-17(6-10-19)23-15(3)26)34(30,31)20-11-7-18(8-12-20)24-16(4)27/h5-12H,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 506.56 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenyl)sulfonyl-(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 134990519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).