N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide

C23H24N4O5S — CID 67724721

IUPACN-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide
SMILESCC(=O)NCC1(S(=O)(=O)Nc2onc(C)c2C)CC(c2ncco2)=CC=C1c1ccccc1
InChIInChI=1S/C23H24N4O5S/c1-15-16(2)26-32-21(15)27-33(29,30)23(14-25-17(3)28)13-19(22-24-11-12-31-22)9-10-20(23)18-7-5-4-6-8-18/h4-12,27H,13-14H2,1-3H3,(H,25,28)
InChIKeyGCCOMSQOZDWGGM-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.47
Rot. Bonds7

About N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide

N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide (PubChem CID 67724721) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide
PubChem CID67724721
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide
SMILESCC(=O)NCC1(S(=O)(=O)Nc2onc(C)c2C)CC(c2ncco2)=CC=C1c1ccccc1
InChIInChI=1S/C23H24N4O5S/c1-15-16(2)26-32-21(15)27-33(29,30)23(14-25-17(3)28)13-19(22-24-11-12-31-22)9-10-20(23)18-7-5-4-6-8-18/h4-12,27H,13-14H2,1-3H3,(H,25,28)
InChIKeyGCCOMSQOZDWGGM-UHFFFAOYSA-N
XLogP3.47
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide (CID 67724721) is N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide is CC(=O)NCC1(S(=O)(=O)Nc2onc(C)c2C)CC(c2ncco2)=CC=C1c1ccccc1.
What is the InChIKey of N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide?
The InChIKey is GCCOMSQOZDWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-15-16(2)26-32-21(15)27-33(29,30)23(14-25-17(3)28)13-19(22-24-11-12-31-22)9-10-20(23)18-7-5-4-6-8-18/h4-12,27H,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide?
N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide has a molecular weight of 468.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-5-(1,3-oxazol-2-yl)-2-phenylcyclohexa-2,4-dien-1-yl]methyl]acetamide is sourced from PubChem (CID 67724721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).