N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide

C24H19ClFN3O3S — CID 42238717

IUPACN-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)c4ccc(F)cc4Cl)c(C)o3)c2)s1
InChIInChI=1S/C24H19ClFN3O3S/c1-13-6-9-21(33-13)23(31)28-17-5-3-4-15(10-17)24-29-20(14(2)32-24)12-27-22(30)18-8-7-16(26)11-19(18)25/h3-11H,12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFSKKJIBJTDSPQS-UHFFFAOYSA-N
MW483.95 g/mol
LogP5.99
Rot. Bonds6

About N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide

N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 42238717) has the molecular formula C24H19ClFN3O3S and a molecular weight of 483.95 g/mol. Its IUPAC name is N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
PubChem CID42238717
Molecular FormulaC24H19ClFN3O3S
Molecular Weight483.95 g/mol
Exact Mass483.08
IUPAC NameN-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)c4ccc(F)cc4Cl)c(C)o3)c2)s1
InChIInChI=1S/C24H19ClFN3O3S/c1-13-6-9-21(33-13)23(31)28-17-5-3-4-15(10-17)24-29-20(14(2)32-24)12-27-22(30)18-8-7-16(26)11-19(18)25/h3-11H,12H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFSKKJIBJTDSPQS-UHFFFAOYSA-N
XLogP5.99
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide 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-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide (CID 42238717) is N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3nc(CNC(=O)c4ccc(F)cc4Cl)c(C)o3)c2)s1.
What is the InChIKey of N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is FSKKJIBJTDSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3S/c1-13-6-9-21(33-13)23(31)28-17-5-3-4-15(10-17)24-29-20(14(2)32-24)12-27-22(30)18-8-7-16(26)11-19(18)25/h3-11H,12H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide?
N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 483.95 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42238717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).