N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide

C24H23N3O6S — CID 66907928

IUPACN-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccccc3)CC3NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C24H23N3O6S/c1-32-18-7-9-19(10-8-18)33-20-11-13-21(14-12-20)34(30,31)27(15-17-5-3-2-4-6-17)16-22-23(28)26-24(29)25-22/h2-14,22H,15-16H2,1H3,(H2,25,26,28,29)
InChIKeyBSSADWIFCVXYLU-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.89
Rot. Bonds9

About N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide

N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide (PubChem CID 66907928) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
PubChem CID66907928
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC NameN-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccccc3)CC3NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C24H23N3O6S/c1-32-18-7-9-19(10-8-18)33-20-11-13-21(14-12-20)34(30,31)27(15-17-5-3-2-4-6-17)16-22-23(28)26-24(29)25-22/h2-14,22H,15-16H2,1H3,(H2,25,26,28,29)
InChIKeyBSSADWIFCVXYLU-UHFFFAOYSA-N
XLogP2.89
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59710562
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-benzyl-4-methoxy-N-(2-methyl-4-sulfanylbutyl)benzenesulfonamide
CID 87975058
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-benzyl-N-[(2-ethanethioylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 22711767
N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 141127657

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide (CID 66907928) is N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide is COc1ccc(Oc2ccc(S(=O)(=O)N(Cc3ccccc3)CC3NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide?
The InChIKey is BSSADWIFCVXYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-32-18-7-9-19(10-8-18)33-20-11-13-21(14-12-20)34(30,31)27(15-17-5-3-2-4-6-17)16-22-23(28)26-24(29)25-22/h2-14,22H,15-16H2,1H3,(H2,25,26,28,29).
What are the key properties of N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide?
N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide has a molecular weight of 481.53 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 66907928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).