N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide

C25H32N4O4S — CID 53083190

IUPACN-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1
InChIInChI=1S/C25H32N4O4S/c1-18-4-7-21(8-5-18)17-27-14-15-29(25(27)31)22-10-12-28(13-11-22)34(32,33)24-16-19(2)6-9-23(24)26-20(3)30/h4-9,16,22H,10-15,17H2,1-3H3,(H,26,30)
InChIKeyFORUUESPXPKGFX-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.35
Rot. Bonds6

About N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 53083190) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID53083190
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1
InChIInChI=1S/C25H32N4O4S/c1-18-4-7-21(8-5-18)17-27-14-15-29(25(27)31)22-10-12-28(13-11-22)34(32,33)24-16-19(2)6-9-23(24)26-20(3)30/h4-9,16,22H,10-15,17H2,1-3H3,(H,26,30)
InChIKeyFORUUESPXPKGFX-UHFFFAOYSA-N
XLogP3.35
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
N-[4-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 46287370
N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098533
4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53098565
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098535
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
N-(4-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098532
1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 53083252
N-(2,4-difluorophenyl)-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53094546
1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083148

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 53083190) is N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C2=O)CC1.
What is the InChIKey of N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is FORUUESPXPKGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-18-4-7-21(8-5-18)17-27-14-15-29(25(27)31)22-10-12-28(13-11-22)34(32,33)24-16-19(2)6-9-23(24)26-20(3)30/h4-9,16,22H,10-15,17H2,1-3H3,(H,26,30).
What are the key properties of N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 484.62 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 53083190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).