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

C26H28N4O5S — CID 10907333

IUPACN-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C26H28N4O5S/c1-16-17(2)29-35-24(16)30-36(32,33)22-9-7-6-8-21(22)20-11-10-18(25-27-12-13-34-25)14-19(20)15-23(31)28-26(3,4)5/h6-14,30H,15H2,1-5H3,(H,28,31)
InChIKeyIYEPVPVXSCCBFG-UHFFFAOYSA-N
MW508.60 g/mol
LogP4.87
Rot. Bonds7

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

N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide (PubChem CID 10907333) has the molecular formula C26H28N4O5S and a molecular weight of 508.60 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide
PubChem CID10907333
Molecular FormulaC26H28N4O5S
Molecular Weight508.60 g/mol
Exact Mass508.18
IUPAC NameN-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C26H28N4O5S/c1-16-17(2)29-35-24(16)30-36(32,33)22-9-7-6-8-21(22)20-11-10-18(25-27-12-13-34-25)14-19(20)15-23(31)28-26(3,4)5/h6-14,30H,15H2,1-5H3,(H,28,31)
InChIKeyIYEPVPVXSCCBFG-UHFFFAOYSA-N
XLogP4.87
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide (CID 10907333) is N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CC(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide?
The InChIKey is IYEPVPVXSCCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S/c1-16-17(2)29-35-24(16)30-36(32,33)22-9-7-6-8-21(22)20-11-10-18(25-27-12-13-34-25)14-19(20)15-23(31)28-26(3,4)5/h6-14,30H,15H2,1-5H3,(H,28,31).
What are the key properties of N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide?
N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide has a molecular weight of 508.60 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 10907333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).