N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide

C18H20F2N2O4S — CID 53288261

IUPACN-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCOc1ccccc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O4S/c1-26-17-7-4-3-6-16(17)22(27(2,24)25)11-5-8-18(23)21-13-9-10-14(19)15(20)12-13/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,23)
InChIKeyRDSZHRRGLFUGBX-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.16
Rot. Bonds8

About N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide

N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 53288261) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID53288261
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCOc1ccccc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O4S/c1-26-17-7-4-3-6-16(17)22(27(2,24)25)11-5-8-18(23)21-13-9-10-14(19)15(20)12-13/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,23)
InChIKeyRDSZHRRGLFUGBX-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-(3,4-difluorophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21367184
ethyl 2-chloro-4-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 100769151
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)butanamide
CID 100559058
N-(3,4-dimethoxyphenyl)-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 53286543
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 100581767

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide (CID 53288261) is N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide is COc1ccccc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is RDSZHRRGLFUGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-26-17-7-4-3-6-16(17)22(27(2,24)25)11-5-8-18(23)21-13-9-10-14(19)15(20)12-13/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 398.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53288261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).