N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide

C19H23FN2O3S — CID 113139245

IUPACN-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(Cc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O3S/c1-14-8-9-15(2)18(12-14)21-19(23)10-11-22(26(3,24)25)13-16-6-4-5-7-17(16)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyLSCJPDXKYOBJGW-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.23
Rot. Bonds7

About N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide

N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139245) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139245
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN(Cc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C19H23FN2O3S/c1-14-8-9-15(2)18(12-14)21-19(23)10-11-22(26(3,24)25)13-16-6-4-5-7-17(16)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyLSCJPDXKYOBJGW-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113151961
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide (CID 113139245) is N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide is Cc1ccc(C)c(NC(=O)CCN(Cc2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is LSCJPDXKYOBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-14-8-9-15(2)18(12-14)21-19(23)10-11-22(26(3,24)25)13-16-6-4-5-7-17(16)20/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).