2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C37H31F4N5O6S3 — CID 87602417

IUPAC2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1cc2ccccc2cn1)S(=O)(=O)c1ccc(F)cc1F.CC(C)(C(=O)Nc1nc(-c2cccnc2)cs1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O3S.C18H15F2N3O3S2/c1-19(2,27(25,26)16-8-7-14(20)10-15(16)21)18(24)23-17-9-12-5-3-4-6-13(12)11-22-17;1-18(2,28(25,26)15-6-5-12(19)8-13(15)20)16(24)23-17-22-14(10-27-17)11-4-3-7-21-9-11/h3-11H,1-2H3,(H,22,23,24);3-10H,1-2H3,(H,22,23,24)
InChIKeyQTSKKXQIRIUPGR-UHFFFAOYSA-N
MW813.88 g/mol
LogP7.38
Rot. Bonds9

About 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 87602417) has the molecular formula C37H31F4N5O6S3 and a molecular weight of 813.88 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID87602417
Molecular FormulaC37H31F4N5O6S3
Molecular Weight813.88 g/mol
Exact Mass813.14
IUPAC Name2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1cc2ccccc2cn1)S(=O)(=O)c1ccc(F)cc1F.CC(C)(C(=O)Nc1nc(-c2cccnc2)cs1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H16F2N2O3S.C18H15F2N3O3S2/c1-19(2,27(25,26)16-8-7-14(20)10-15(16)21)18(24)23-17-9-12-5-3-4-6-13(12)11-22-17;1-18(2,28(25,26)15-6-5-12(19)8-13(15)20)16(24)23-17-22-14(10-27-17)11-4-3-7-21-9-11/h3-11H,1-2H3,(H,22,23,24);3-10H,1-2H3,(H,22,23,24)
InChIKeyQTSKKXQIRIUPGR-UHFFFAOYSA-N
XLogP7.38
TPSA165.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.88
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 24855758
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
2-(1-ethylcyclobutyl)-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 143651780
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 87418068
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
3-(6-fluoroindol-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 56761033

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 87602417) is 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1cc2ccccc2cn1)S(=O)(=O)c1ccc(F)cc1F.CC(C)(C(=O)Nc1nc(-c2cccnc2)cs1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QTSKKXQIRIUPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S.C18H15F2N3O3S2/c1-19(2,27(25,26)16-8-7-14(20)10-15(16)21)18(24)23-17-9-12-5-3-4-6-13(12)11-22-17;1-18(2,28(25,26)15-6-5-12(19)8-13(15)20)16(24)23-17-22-14(10-27-17)11-4-3-7-21-9-11/h3-11H,1-2H3,(H,22,23,24);3-10H,1-2H3,(H,22,23,24).
What are the key properties of 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 813.88 g/mol, XLogP of 7.38, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87602417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).