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

C24H38FN3O4S — CID 46108761

IUPACN-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)CCC
InChIInChI=1S/C24H38FN3O4S/c1-5-13-27(33(31,32)16-6-2)18-23(29)28(17-20-7-9-21(25)10-8-20)22-11-14-26(15-12-22)24(30)19(3)4/h7-10,19,22H,5-6,11-18H2,1-4H3
InChIKeyZRVHOLZBWKIBEO-UHFFFAOYSA-N
MW483.65 g/mol
LogP3.25
Rot. Bonds11

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

N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide (PubChem CID 46108761) has the molecular formula C24H38FN3O4S and a molecular weight of 483.65 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
PubChem CID46108761
Molecular FormulaC24H38FN3O4S
Molecular Weight483.65 g/mol
Exact Mass483.26
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)CCC
InChIInChI=1S/C24H38FN3O4S/c1-5-13-27(33(31,32)16-6-2)18-23(29)28(17-20-7-9-21(25)10-8-20)22-11-14-26(15-12-22)24(30)19(3)4/h7-10,19,22H,5-6,11-18H2,1-4H3
InChIKeyZRVHOLZBWKIBEO-UHFFFAOYSA-N
XLogP3.25
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide (CID 46108761) is N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide is CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)C(C)C)CC1)S(=O)(=O)CCC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
The InChIKey is ZRVHOLZBWKIBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN3O4S/c1-5-13-27(33(31,32)16-6-2)18-23(29)28(17-20-7-9-21(25)10-8-20)22-11-14-26(15-12-22)24(30)19(3)4/h7-10,19,22H,5-6,11-18H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide has a molecular weight of 483.65 g/mol, XLogP of 3.25, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-[propyl(propylsulfonyl)amino]acetamide is sourced from PubChem (CID 46108761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).