N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide

C28H38FN3O5S — CID 46108758

IUPACN-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(OC)cc2)CC1)S(=O)(=O)CCC
InChIInChI=1S/C28H38FN3O5S/c1-4-16-31(38(35,36)19-5-2)21-27(33)32(20-22-6-10-24(29)11-7-22)25-14-17-30(18-15-25)28(34)23-8-12-26(37-3)13-9-23/h6-13,25H,4-5,14-21H2,1-3H3
InChIKeyPIEUUSGFFGAAIH-UHFFFAOYSA-N
MW547.69 g/mol
LogP3.92
Rot. Bonds12

About N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide (PubChem CID 46108758) has the molecular formula C28H38FN3O5S and a molecular weight of 547.69 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
PubChem CID46108758
Molecular FormulaC28H38FN3O5S
Molecular Weight547.69 g/mol
Exact Mass547.25
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(OC)cc2)CC1)S(=O)(=O)CCC
InChIInChI=1S/C28H38FN3O5S/c1-4-16-31(38(35,36)19-5-2)21-27(33)32(20-22-6-10-24(29)11-7-22)25-14-17-30(18-15-25)28(34)23-8-12-26(37-3)13-9-23/h6-13,25H,4-5,14-21H2,1-3H3
InChIKeyPIEUUSGFFGAAIH-UHFFFAOYSA-N
XLogP3.92
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.69
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 46108778
N-[1-[(2R)-2-chloropropanoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 93016440
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylacetyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
CID 42880687
2-[ethylsulfonyl(propyl)amino]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46108846
N-butyl-4-[(4-fluorophenyl)methyl-[2-[propyl(propylsulfonyl)amino]acetyl]amino]piperidine-1-carboxamide
CID 46108893
N-[1-(4-butylbenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(2-methoxyethyl)amino]-N-[(3-fluorophenyl)methyl]acetamide
CID 42880726
N-[1-(4-butoxybenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108875
N-[(4-chlorophenyl)methyl]-N-[1-(3-chloropropanoyl)piperidin-4-yl]-2-[2-methoxyethyl(propylsulfonyl)amino]acetamide
CID 46108268
2-[benzenesulfonyl(propyl)amino]-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108517
2-[benzenesulfonyl(propyl)amino]-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108535
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-phenylpiperidine-1-carboxamide
CID 42880652
2-[cyclohexylmethyl(ethylsulfonyl)amino]-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 46108008

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide (CID 46108758) is N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)c2ccc(OC)cc2)CC1)S(=O)(=O)CCC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The InChIKey is PIEUUSGFFGAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3O5S/c1-4-16-31(38(35,36)19-5-2)21-27(33)32(20-22-6-10-24(29)11-7-22)25-14-17-30(18-15-25)28(34)23-8-12-26(37-3)13-9-23/h6-13,25H,4-5,14-21H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide has a molecular weight of 547.69 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide is sourced from PubChem (CID 46108758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).