N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide

C17H24N4O7S — CID 42961175

IUPACN-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C17H24N4O7S/c1-17(15(23)19-16(24)20-17)12-9-11(5-6-13(12)28-4)29(25,26)21(2)10-14(22)18-7-8-27-3/h5-6,9H,7-8,10H2,1-4H3,(H,18,22)(H2,19,20,23,24)
InChIKeyUMZDWFRFOYYCHP-UHFFFAOYSA-N
MW428.47 g/mol
LogP-0.87
Rot. Bonds9

About N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide

N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide (PubChem CID 42961175) has the molecular formula C17H24N4O7S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide
PubChem CID42961175
Molecular FormulaC17H24N4O7S
Molecular Weight428.47 g/mol
Exact Mass428.14
IUPAC NameN-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C17H24N4O7S/c1-17(15(23)19-16(24)20-17)12-9-11(5-6-13(12)28-4)29(25,26)21(2)10-14(22)18-7-8-27-3/h5-6,9H,7-8,10H2,1-4H3,(H,18,22)(H2,19,20,23,24)
InChIKeyUMZDWFRFOYYCHP-UHFFFAOYSA-N
XLogP-0.87
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119966018
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxyethyl)acetamide
CID 2261079
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 61115700
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318
methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 30872480
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7421417
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92512484
N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330307

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide (CID 42961175) is N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C2(C)NC(=O)NC2=O)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide?
The InChIKey is UMZDWFRFOYYCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O7S/c1-17(15(23)19-16(24)20-17)12-9-11(5-6-13(12)28-4)29(25,26)21(2)10-14(22)18-7-8-27-3/h5-6,9H,7-8,10H2,1-4H3,(H,18,22)(H2,19,20,23,24).
What are the key properties of N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide?
N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide has a molecular weight of 428.47 g/mol, XLogP of -0.87, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[4-methoxy-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]sulfonyl-methylamino]acetamide is sourced from PubChem (CID 42961175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).