N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide

C26H25N3O5S — CID 42920164

IUPACN-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3SCC3(C)NC(=O)NC3=O)ccc2OC)cc1
InChIInChI=1S/C26H25N3O5S/c1-26(24(31)28-25(32)29-26)15-35-22-7-5-4-6-19(22)23(30)27-17-10-13-21(34-3)20(14-17)16-8-11-18(33-2)12-9-16/h4-14H,15H2,1-3H3,(H,27,30)(H2,28,29,31,32)
InChIKeyIOAOSDAVXMBNFF-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.31
Rot. Bonds8

About N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide

N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide (PubChem CID 42920164) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
PubChem CID42920164
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC NameN-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3SCC3(C)NC(=O)NC3=O)ccc2OC)cc1
InChIInChI=1S/C26H25N3O5S/c1-26(24(31)28-25(32)29-26)15-35-22-7-5-4-6-19(22)23(30)27-17-10-13-21(34-3)20(14-17)16-8-11-18(33-2)12-9-16/h4-14H,15H2,1-3H3,(H,27,30)(H2,28,29,31,32)
InChIKeyIOAOSDAVXMBNFF-UHFFFAOYSA-N
XLogP4.31
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9400622
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzamide
CID 9490441
N-(4-butylphenyl)-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide
CID 42883894
(2-anilino-2-oxoethyl) 2-[[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 8506602
[(1S)-1-phenylethyl] 2-[[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]benzoate
CID 9358085
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-(3,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 43010479
3-[4-methoxy-3-(4-methoxyphenyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 146134636
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55369477
2-(3-fluorophenyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745498
2-(cyanomethylsulfanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 36679992
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24576066

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide (CID 42920164) is N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccccc3SCC3(C)NC(=O)NC3=O)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
The InChIKey is IOAOSDAVXMBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-26(24(31)28-25(32)29-26)15-35-22-7-5-4-6-19(22)23(30)27-17-10-13-21(34-3)20(14-17)16-8-11-18(33-2)12-9-16/h4-14H,15H2,1-3H3,(H,27,30)(H2,28,29,31,32).
What are the key properties of N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide?
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide has a molecular weight of 491.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 42920164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).