1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

C24H30FN3O4S — CID 55892915

IUPAC1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1
InChIInChI=1S/C24H30FN3O4S/c1-2-3-14-33(31,32)28-12-10-19(11-13-28)23(29)26-17-18-6-4-9-22(15-18)27-24(30)20-7-5-8-21(25)16-20/h4-9,15-16,19H,2-3,10-14,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyQIQPUVSOZWWOSA-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.54
Rot. Bonds9

About 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55892915) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID55892915
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC Name1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1
InChIInChI=1S/C24H30FN3O4S/c1-2-3-14-33(31,32)28-12-10-19(11-13-28)23(29)26-17-18-6-4-9-22(15-18)27-24(30)20-7-5-8-21(25)16-20/h4-9,15-16,19H,2-3,10-14,17H2,1H3,(H,26,29)(H,27,30)
InChIKeyQIQPUVSOZWWOSA-UHFFFAOYSA-N
XLogP3.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55893300
1-(2,5-dibromophenyl)sulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 167954929
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
1-butylsulfonyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 166184399
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55893808
3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119741762
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
N-[(3-fluorophenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53283629
1-butylsulfonyl-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
CID 55902536
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 55892915) is 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is QIQPUVSOZWWOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-2-3-14-33(31,32)28-12-10-19(11-13-28)23(29)26-17-18-6-4-9-22(15-18)27-24(30)20-7-5-8-21(25)16-20/h4-9,15-16,19H,2-3,10-14,17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55892915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).