N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide

C18H21FN2O3S — CID 53282949

IUPACN-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-3-17(18(22)20-13-14-9-7-8-12-16(14)19)21(25(2,23)24)15-10-5-4-6-11-15/h4-12,17H,3,13H2,1-2H3,(H,20,22)
InChIKeyOCJPNXOWZAFWKP-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.69
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide

N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide (PubChem CID 53282949) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
PubChem CID53282949
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-3-17(18(22)20-13-14-9-7-8-12-16(14)19)21(25(2,23)24)15-10-5-4-6-11-15/h4-12,17H,3,13H2,1-2H3,(H,20,22)
InChIKeyOCJPNXOWZAFWKP-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 53282868
N-[(3-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
CID 53282957
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
2-(4-chloro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)butanamide
CID 133218974
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
CID 132663421
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
2-(2-fluoro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204254
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53284156
2-(3-chloro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)butanamide
CID 133218972
2-(N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53282926
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide (CID 53282949) is N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide is CCC(C(=O)NCc1ccccc1F)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide?
The InChIKey is OCJPNXOWZAFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-17(18(22)20-13-14-9-7-8-12-16(14)19)21(25(2,23)24)15-10-5-4-6-11-15/h4-12,17H,3,13H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide?
N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide has a molecular weight of 364.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53282949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).