N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide

C23H27FN4O3S — CID 26346018

IUPACN-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)s1
InChIInChI=1S/C23H27FN4O3S/c1-15(29)25-20-8-7-19(32-20)14-27-11-9-17(10-12-27)23(2)21(30)28(22(31)26-23)13-16-3-5-18(24)6-4-16/h3-8,17H,9-14H2,1-2H3,(H,25,29)(H,26,31)/t23-/m0/s1
InChIKeyXALGUILMMFUUAX-QHCPKHFHSA-N
MW458.56 g/mol
LogP3.57
Rot. Bonds6

About N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide

N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide (PubChem CID 26346018) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
PubChem CID26346018
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC NameN-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)s1
InChIInChI=1S/C23H27FN4O3S/c1-15(29)25-20-8-7-19(32-20)14-27-11-9-17(10-12-27)23(2)21(30)28(22(31)26-23)13-16-3-5-18(24)6-4-16/h3-8,17H,9-14H2,1-2H3,(H,25,29)(H,26,31)/t23-/m0/s1
InChIKeyXALGUILMMFUUAX-QHCPKHFHSA-N
XLogP3.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26278516
3-[(4-fluorophenyl)methyl]-5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 118760570
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
(5R)-5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42166777
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 56551831
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45194202
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45173762
(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 42407203
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45210275

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide (CID 26346018) is N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc(CN2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)s1.
What is the InChIKey of N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
The InChIKey is XALGUILMMFUUAX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-15(29)25-20-8-7-19(32-20)14-27-11-9-17(10-12-27)23(2)21(30)28(22(31)26-23)13-16-3-5-18(24)6-4-16/h3-8,17H,9-14H2,1-2H3,(H,25,29)(H,26,31)/t23-/m0/s1.
What are the key properties of N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide?
N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide has a molecular weight of 458.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 26346018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).