N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C26H27N3O3S — CID 46534600

IUPACN-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCCC(C)c1ccc(C(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)cc1
InChIInChI=1S/C26H27N3O3S/c1-3-17(2)19-10-12-20(13-11-19)24(22-5-4-14-33-22)28-25(31)21-8-6-18(7-9-21)16-29-23(30)15-27-26(29)32/h4-14,17,24H,3,15-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyFOAHNIIWYAGIOW-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.83
Rot. Bonds8

About N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 46534600) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID46534600
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESCCC(C)c1ccc(C(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)cc1
InChIInChI=1S/C26H27N3O3S/c1-3-17(2)19-10-12-20(13-11-19)24(22-5-4-14-33-22)28-25(31)21-8-6-18(7-9-21)16-29-23(30)15-27-26(29)32/h4-14,17,24H,3,15-16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyFOAHNIIWYAGIOW-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46700054
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46580043
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide
CID 55825217
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 78829285
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 46534600) is N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is CCC(C)c1ccc(C(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is FOAHNIIWYAGIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-3-17(2)19-10-12-20(13-11-19)24(22-5-4-14-33-22)28-25(31)21-8-6-18(7-9-21)16-29-23(30)15-27-26(29)32/h4-14,17,24H,3,15-16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 461.59 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 46534600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).