4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide

C24H25FN2O5S — CID 27901858

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O5S/c1-27(33(29,30)21-15-9-18(25)10-16-21)17-5-8-24(28)26-19-11-13-20(14-12-19)32-23-7-4-3-6-22(23)31-2/h3-4,6-7,9-16H,5,8,17H2,1-2H3,(H,26,28)
InChIKeyGBQXZKNHOLTVHI-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.67
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide (PubChem CID 27901858) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
PubChem CID27901858
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O5S/c1-27(33(29,30)21-15-9-18(25)10-16-21)17-5-8-24(28)26-19-11-13-20(14-12-19)32-23-7-4-3-6-22(23)31-2/h3-4,6-7,9-16H,5,8,17H2,1-2H3,(H,26,28)
InChIKeyGBQXZKNHOLTVHI-UHFFFAOYSA-N
XLogP4.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 18593163
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 46447025
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(6-phenylmethoxy-3-pyridinyl)butanamide
CID 55878929
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 24681406
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide (CID 27901858) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide is COc1ccccc1Oc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide?
The InChIKey is GBQXZKNHOLTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-27(33(29,30)21-15-9-18(25)10-16-21)17-5-8-24(28)26-19-11-13-20(14-12-19)32-23-7-4-3-6-22(23)31-2/h3-4,6-7,9-16H,5,8,17H2,1-2H3,(H,26,28).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide has a molecular weight of 472.54 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide is sourced from PubChem (CID 27901858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).