N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C20H20Cl2N4O6S — CID 2119163

IUPACN-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O6S/c1-20(2)18(28)26(19(29)24-20)10-17(27)23-11-4-7-16(32-3)15(8-11)25-33(30,31)12-5-6-13(21)14(22)9-12/h4-9,25H,10H2,1-3H3,(H,23,27)(H,24,29)
InChIKeyLINKJLVUDMRNFP-UHFFFAOYSA-N
MW515.38 g/mol
LogP3.07
Rot. Bonds7

About N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2119163) has the molecular formula C20H20Cl2N4O6S and a molecular weight of 515.38 g/mol. Its IUPAC name is N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2119163
Molecular FormulaC20H20Cl2N4O6S
Molecular Weight515.38 g/mol
Exact Mass514.05
IUPAC NameN-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O6S/c1-20(2)18(28)26(19(29)24-20)10-17(27)23-11-4-7-16(32-3)15(8-11)25-33(30,31)12-5-6-13(21)14(22)9-12/h4-9,25H,10H2,1-3H3,(H,23,27)(H,24,29)
InChIKeyLINKJLVUDMRNFP-UHFFFAOYSA-N
XLogP3.07
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.38
LogP ≤ 53.07
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-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4966599
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 129376637
N-(3-chloro-4-cyanophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181965
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661
(2R)-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]oxolane-2-carboxamide
CID 26853359
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3962931
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-(3-chloro-4-methoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7934827
3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2119163) is N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is LINKJLVUDMRNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O6S/c1-20(2)18(28)26(19(29)24-20)10-17(27)23-11-4-7-16(32-3)15(8-11)25-33(30,31)12-5-6-13(21)14(22)9-12/h4-9,25H,10H2,1-3H3,(H,23,27)(H,24,29).
What are the key properties of N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 515.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2119163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).