N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide

C28H38FN3O4S — CID 46108294

IUPACN-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1)CC(C)C
InChIInChI=1S/C28H38FN3O4S/c1-4-18-37(35,36)31(19-22(2)3)21-27(33)32(20-23-10-6-5-7-11-23)24-14-16-30(17-15-24)28(34)25-12-8-9-13-26(25)29/h5-13,22,24H,4,14-21H2,1-3H3
InChIKeyIKSPKHITXYPEKV-UHFFFAOYSA-N
MW531.69 g/mol
LogP4.16
Rot. Bonds11

About N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide

N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide (PubChem CID 46108294) has the molecular formula C28H38FN3O4S and a molecular weight of 531.69 g/mol. Its IUPAC name is N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
PubChem CID46108294
Molecular FormulaC28H38FN3O4S
Molecular Weight531.69 g/mol
Exact Mass531.26
IUPAC NameN-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
SMILESCCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1)CC(C)C
InChIInChI=1S/C28H38FN3O4S/c1-4-18-37(35,36)31(19-22(2)3)21-27(33)32(20-23-10-6-5-7-11-23)24-14-16-30(17-15-24)28(34)25-12-8-9-13-26(25)29/h5-13,22,24H,4,14-21H2,1-3H3
InChIKeyIKSPKHITXYPEKV-UHFFFAOYSA-N
XLogP4.16
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108298
N-benzyl-2-[2-methylpropyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108496
N-benzyl-N-(1-benzylsulfonylpiperidin-4-yl)-2-[2-methylpropyl(propylsulfonyl)amino]acetamide
CID 46108494
2-[ethylsulfonyl(2-methylpropyl)amino]-N-[(4-methylphenyl)methyl]-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]acetamide
CID 46108570
N-[1-(2-methylbenzoyl)piperidin-4-yl]-2-[3-methylbutyl(propylsulfonyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108129
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 42880687
4-[[2-[ethylsulfonyl(2-methylpropyl)amino]acetyl]-[(4-methylphenyl)methyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 46108588
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 93016440
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(1-ethylsulfonylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 46108642
N-[1-(4-bromobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108778
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108758

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The IUPAC name of N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide (CID 46108294) is N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide is CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)c2ccccc2F)CC1)CC(C)C.
What is the InChIKey of N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
The InChIKey is IKSPKHITXYPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3O4S/c1-4-18-37(35,36)31(19-22(2)3)21-27(33)32(20-23-10-6-5-7-11-23)24-14-16-30(17-15-24)28(34)25-12-8-9-13-26(25)29/h5-13,22,24H,4,14-21H2,1-3H3.
What are the key properties of N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide?
N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide has a molecular weight of 531.69 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[2-methylpropyl(propylsulfonyl)amino]acetamide is sourced from PubChem (CID 46108294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).