3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide

C18H20F2N2O3S — CID 113147158

IUPAC3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(c2c(F)cccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H20F2N2O3S/c1-12-7-8-13(2)16(11-12)21-17(23)9-10-22(26(3,24)25)18-14(19)5-4-6-15(18)20/h4-8,11H,9-10H2,1-3H3,(H,21,23)
InChIKeyFUQNAHOKUWSFFP-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.38
Rot. Bonds6

About 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide

3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 113147158) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
PubChem CID113147158
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(c2c(F)cccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H20F2N2O3S/c1-12-7-8-13(2)16(11-12)21-17(23)9-10-22(26(3,24)25)18-14(19)5-4-6-15(18)20/h4-8,11H,9-10H2,1-3H3,(H,21,23)
InChIKeyFUQNAHOKUWSFFP-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide
CID 113145737
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
3-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113146149
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113151961
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide (CID 113147158) is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN(c2c(F)cccc2F)S(C)(=O)=O)c1.
What is the InChIKey of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is FUQNAHOKUWSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-12-7-8-13(2)16(11-12)21-17(23)9-10-22(26(3,24)25)18-14(19)5-4-6-15(18)20/h4-8,11H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide?
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 382.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 113147158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).