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

C24H30FN3O4S — CID 41141769

IUPAC2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C24H30FN3O4S/c1-16(2)22(27-23(29)19-9-5-6-10-20(19)25)24(30)26-21-15-18(12-11-17(21)3)33(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)/t22-/m0/s1
InChIKeyRXYOMHIIMFTCPH-QFIPXVFZSA-N
MW475.59 g/mol
LogP3.70
Rot. Bonds7

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

2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 41141769) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID41141769
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C24H30FN3O4S/c1-16(2)22(27-23(29)19-9-5-6-10-20(19)25)24(30)26-21-15-18(12-11-17(21)3)33(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)/t22-/m0/s1
InChIKeyRXYOMHIIMFTCPH-QFIPXVFZSA-N
XLogP3.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42906254
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-chloro-N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 29265019
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 4963368
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 29264972
2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 27844858
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide (CID 41141769) is 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is RXYOMHIIMFTCPH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-16(2)22(27-23(29)19-9-5-6-10-20(19)25)24(30)26-21-15-18(12-11-17(21)3)33(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)/t22-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide?
2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 41141769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).