2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide

C24H30FN3O5S — CID 42906254

IUPAC2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C24H30FN3O5S/c1-16(2)22(27-23(29)18-9-5-6-10-19(18)25)24(30)26-20-15-17(11-12-21(20)33-3)34(31,32)28-13-7-4-8-14-28/h5-6,9-12,15-16,22H,4,7-8,13-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWMFRXYMPYMLJAQ-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.40
Rot. Bonds8

About 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide

2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 42906254) has the molecular formula C24H30FN3O5S and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID42906254
Molecular FormulaC24H30FN3O5S
Molecular Weight491.59 g/mol
Exact Mass491.19
IUPAC Name2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C24H30FN3O5S/c1-16(2)22(27-23(29)18-9-5-6-10-19(18)25)24(30)26-20-15-17(11-12-21(20)33-3)34(31,32)28-13-7-4-8-14-28/h5-6,9-12,15-16,22H,4,7-8,13-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWMFRXYMPYMLJAQ-UHFFFAOYSA-N
XLogP3.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 41141769
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-chloro-N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 29265019
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295
5-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-2-methoxybenzamide
CID 43882697
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 42906254) is 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(NC(=O)c1ccccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WMFRXYMPYMLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O5S/c1-16(2)22(27-23(29)18-9-5-6-10-19(18)25)24(30)26-20-15-17(11-12-21(20)33-3)34(31,32)28-13-7-4-8-14-28/h5-6,9-12,15-16,22H,4,7-8,13-14H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide?
2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 491.59 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42906254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).