3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide

C18H21FN2O3S — CID 7478808

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-3-4-14(2)17(11-13)25(23,24)21-10-9-18(22)20-12-15-5-7-16(19)8-6-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXMDJBZXHBWGEOY-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.43
Rot. Bonds7

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 7478808) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID7478808
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-3-4-14(2)17(11-13)25(23,24)21-10-9-18(22)20-12-15-5-7-16(19)8-6-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXMDJBZXHBWGEOY-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide (CID 7478808) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is XMDJBZXHBWGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-3-4-14(2)17(11-13)25(23,24)21-10-9-18(22)20-12-15-5-7-16(19)8-6-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 7478808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).