N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide

C18H21FN2O3S — CID 21368306

IUPACN-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-25(23,24)21(17-11-9-16(19)10-12-17)13-5-8-18(22)20-14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyYLXKCKVEAGLMKI-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.69
Rot. Bonds8

About N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide

N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 21368306) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID21368306
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)NCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-25(23,24)21(17-11-9-16(19)10-12-17)13-5-8-18(22)20-14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
InChIKeyYLXKCKVEAGLMKI-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53287826
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
3-(4-cyano-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146962
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 21368313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide (CID 21368306) is N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide is CS(=O)(=O)N(CCCC(=O)NCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is YLXKCKVEAGLMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-25(23,24)21(17-11-9-16(19)10-12-17)13-5-8-18(22)20-14-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22).
What are the key properties of N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide?
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 364.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 21368306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).