N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C18H20F2N2O3S — CID 30855362

IUPACN-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCc1ccc(F)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-13-5-6-15(20)12-17(13)21-18(23)4-3-11-22(2)26(24,25)16-9-7-14(19)8-10-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyGFGSYTHQXGBBIN-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.31
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 30855362) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID30855362
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCc1ccc(F)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20F2N2O3S/c1-13-5-6-15(20)12-17(13)21-18(23)4-3-11-22(2)26(24,25)16-9-7-14(19)8-10-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyGFGSYTHQXGBBIN-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
N-(2-benzylsulfanylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 16561464
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
CID 75425148
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 30855362) is N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is Cc1ccc(F)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is GFGSYTHQXGBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-13-5-6-15(20)12-17(13)21-18(23)4-3-11-22(2)26(24,25)16-9-7-14(19)8-10-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 382.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 30855362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).