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

C24H29N3O7S — CID 2315555

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H29N3O7S/c1-6-31-20-13-17(14-21(32-7-2)22(20)33-8-3)23(28)25-18-9-11-19(12-10-18)35(29,30)27-24-15(4)16(5)26-34-24/h9-14,27H,6-8H2,1-5H3,(H,25,28)
InChIKeyPCBRWUUBPXXYFK-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.54
Rot. Bonds11

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

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide (PubChem CID 2315555) has the molecular formula C24H29N3O7S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide
PubChem CID2315555
Molecular FormulaC24H29N3O7S
Molecular Weight503.58 g/mol
Exact Mass503.17
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H29N3O7S/c1-6-31-20-13-17(14-21(32-7-2)22(20)33-8-3)23(28)25-18-9-11-19(12-10-18)35(29,30)27-24-15(4)16(5)26-34-24/h9-14,27H,6-8H2,1-5H3,(H,25,28)
InChIKeyPCBRWUUBPXXYFK-UHFFFAOYSA-N
XLogP4.54
TPSA128.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide (CID 2315555) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is PCBRWUUBPXXYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7S/c1-6-31-20-13-17(14-21(32-7-2)22(20)33-8-3)23(28)25-18-9-11-19(12-10-18)35(29,30)27-24-15(4)16(5)26-34-24/h9-14,27H,6-8H2,1-5H3,(H,25,28).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 503.58 g/mol, XLogP of 4.54, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 2315555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).