N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide

C18H21FN2O3S — CID 53285321

IUPACN-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1ccc(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14-9-11-15(12-10-14)21(25(2,23)24)13-5-8-18(22)20-17-7-4-3-6-16(17)19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,20,22)
InChIKeyZKTKXDNAALBIKX-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.32
Rot. Bonds7

About N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide

N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 53285321) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
PubChem CID53285321
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCc1ccc(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14-9-11-15(12-10-14)21(25(2,23)24)13-5-8-18(22)20-17-7-4-3-6-16(17)19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,20,22)
InChIKeyZKTKXDNAALBIKX-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113141978
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 21368313
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217
4-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53285377
methyl 4-methyl-3-[4-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 9180012

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide (CID 53285321) is N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide is Cc1ccc(N(CCCC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is ZKTKXDNAALBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-9-11-15(12-10-14)21(25(2,23)24)13-5-8-18(22)20-17-7-4-3-6-16(17)19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide?
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 364.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53285321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).