(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C19H18FN3O3S2 — CID 30804933

IUPAC(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCc1cnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)s1
InChIInChI=1S/C19H18FN3O3S2/c1-13-12-21-19(27-13)22-18(24)16(11-14-7-3-2-4-8-14)23-28(25,26)17-10-6-5-9-15(17)20/h2-10,12,16,23H,11H2,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyQVQJPGYCKRRDPC-MRXNPFEDSA-N
MW419.50 g/mol
LogP3.12
Rot. Bonds7

About (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 30804933) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID30804933
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC Name(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCc1cnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)s1
InChIInChI=1S/C19H18FN3O3S2/c1-13-12-21-19(27-13)22-18(24)16(11-14-7-3-2-4-8-14)23-28(25,26)17-10-6-5-9-15(17)20/h2-10,12,16,23H,11H2,1H3,(H,21,22,24)/t16-/m1/s1
InChIKeyQVQJPGYCKRRDPC-MRXNPFEDSA-N
XLogP3.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide 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 (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 30804933) is (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is Cc1cnc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)s1.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is QVQJPGYCKRRDPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-13-12-21-19(27-13)22-18(24)16(11-14-7-3-2-4-8-14)23-28(25,26)17-10-6-5-9-15(17)20/h2-10,12,16,23H,11H2,1H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 419.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 30804933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).