2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide

C19H22ClFN2O5S — CID 100780240

IUPAC2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cc1OC
InChIInChI=1S/C19H22ClFN2O5S/c1-19(2,18(24)22-14-6-8-16(27-3)17(10-14)28-4)23-29(25,26)11-12-9-13(21)5-7-15(12)20/h5-10,23H,11H2,1-4H3,(H,22,24)
InChIKeySCOLBZVRMMPLTK-UHFFFAOYSA-N
MW444.91 g/mol
LogP3.33
Rot. Bonds8

About 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide

2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 100780240) has the molecular formula C19H22ClFN2O5S and a molecular weight of 444.91 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide
PubChem CID100780240
Molecular FormulaC19H22ClFN2O5S
Molecular Weight444.91 g/mol
Exact Mass444.09
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cc1OC
InChIInChI=1S/C19H22ClFN2O5S/c1-19(2,18(24)22-14-6-8-16(27-3)17(10-14)28-4)23-29(25,26)11-12-9-13(21)5-7-15(12)20/h5-10,23H,11H2,1-4H3,(H,22,24)
InChIKeySCOLBZVRMMPLTK-UHFFFAOYSA-N
XLogP3.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.91
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(4-prop-2-enoxyphenyl)propanamide
CID 100780234
2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099540
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide
CID 100780162
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
CID 166242064
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438838
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide (CID 100780240) is 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cc1OC.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is SCOLBZVRMMPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O5S/c1-19(2,18(24)22-14-6-8-16(27-3)17(10-14)28-4)23-29(25,26)11-12-9-13(21)5-7-15(12)20/h5-10,23H,11H2,1-4H3,(H,22,24).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide?
2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 444.91 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-N-(3,4-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 100780240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).