4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide

C20H25FN2O3S — CID 53287826

IUPAC4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
SMILESCCc1ccc(N(CCCC(=O)NCc2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-16-9-11-19(12-10-16)23(27(2,25)26)13-5-8-20(24)22-15-17-6-4-7-18(21)14-17/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24)
InChIKeyAVJOFHBKOBMAOT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.25
Rot. Bonds9

About 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide

4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide (PubChem CID 53287826) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
PubChem CID53287826
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
SMILESCCc1ccc(N(CCCC(=O)NCc2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-16-9-11-19(12-10-16)23(27(2,25)26)13-5-8-20(24)22-15-17-6-4-7-18(21)14-17/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24)
InChIKeyAVJOFHBKOBMAOT-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
4-(4-chloro-N-methylsulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100553733
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952
4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 53282813
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide (CID 53287826) is 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide is CCc1ccc(N(CCCC(=O)NCc2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
The InChIKey is AVJOFHBKOBMAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-16-9-11-19(12-10-16)23(27(2,25)26)13-5-8-20(24)22-15-17-6-4-7-18(21)14-17/h4,6-7,9-12,14H,3,5,8,13,15H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide?
4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 53287826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).