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

C22H25N3O4S — CID 10741144

IUPACN-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NC=O)c1C
InChIInChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26)
InChIKeyFKVOCBWXIVWZAI-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.53
Rot. Bonds8

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

N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide (PubChem CID 10741144) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide
PubChem CID10741144
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NC=O)c1C
InChIInChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26)
InChIKeyFKVOCBWXIVWZAI-UHFFFAOYSA-N
XLogP4.53
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide 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-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide?
The IUPAC name of N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide (CID 10741144) is N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide.
What is the SMILES notation for N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide?
The canonical SMILES for N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NC=O)c1C.
What is the InChIKey of N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide?
The InChIKey is FKVOCBWXIVWZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-14(2)11-17-9-10-18(20(12-17)23-13-26)19-7-5-6-8-21(19)30(27,28)25-22-15(3)16(4)24-29-22/h5-10,12-14,25H,11H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide?
N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide has a molecular weight of 427.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(2-methylpropyl)phenyl]formamide is sourced from PubChem (CID 10741144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).