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]-2,2-dimethylpropanamide

C26H30N4O5S — CID 67724496

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]-2,2-dimethylpropanamide
SMILESCc1noc(NS(=O)(=O)C2(CNC(=O)C(C)(C)C)CC(c3ncco3)=CC=C2c2ccccc2)c1C
InChIInChI=1S/C26H30N4O5S/c1-17-18(2)29-35-22(17)30-36(32,33)26(16-28-24(31)25(3,4)5)15-20(23-27-13-14-34-23)11-12-21(26)19-9-7-6-8-10-19/h6-14,30H,15-16H2,1-5H3,(H,28,31)
InChIKeyQUAYNEWRFOHHJM-UHFFFAOYSA-N
MW510.62 g/mol
LogP4.49
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]-2,2-dimethylpropanamide

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]-2,2-dimethylpropanamide (PubChem CID 67724496) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 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]-2,2-dimethylpropanamide.

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]-2,2-dimethylpropanamide
PubChem CID67724496
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
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]-2,2-dimethylpropanamide
SMILESCc1noc(NS(=O)(=O)C2(CNC(=O)C(C)(C)C)CC(c3ncco3)=CC=C2c2ccccc2)c1C
InChIInChI=1S/C26H30N4O5S/c1-17-18(2)29-35-22(17)30-36(32,33)26(16-28-24(31)25(3,4)5)15-20(23-27-13-14-34-23)11-12-21(26)19-9-7-6-8-10-19/h6-14,30H,15-16H2,1-5H3,(H,28,31)
InChIKeyQUAYNEWRFOHHJM-UHFFFAOYSA-N
XLogP4.49
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.49
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]-2,2-dimethylpropanamide?
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]-2,2-dimethylpropanamide (CID 67724496) 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]-2,2-dimethylpropanamide.
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]-2,2-dimethylpropanamide?
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]-2,2-dimethylpropanamide is Cc1noc(NS(=O)(=O)C2(CNC(=O)C(C)(C)C)CC(c3ncco3)=CC=C2c2ccccc2)c1C.
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]-2,2-dimethylpropanamide?
The InChIKey is QUAYNEWRFOHHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-17-18(2)29-35-22(17)30-36(32,33)26(16-28-24(31)25(3,4)5)15-20(23-27-13-14-34-23)11-12-21(26)19-9-7-6-8-10-19/h6-14,30H,15-16H2,1-5H3,(H,28,31).
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]-2,2-dimethylpropanamide?
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]-2,2-dimethylpropanamide has a molecular weight of 510.62 g/mol, XLogP of 4.49, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 67724496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).