N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C21H26Cl2N2O4S — CID 60607198

IUPACN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H26Cl2N2O4S/c1-14-5-7-16(30(27,28)25-9-10-29-4)12-17(14)20(26)24-13-21(2,3)15-6-8-18(22)19(23)11-15/h5-8,11-12,25H,9-10,13H2,1-4H3,(H,24,26)
InChIKeyWDFDFTNPEUPNIK-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.93
Rot. Bonds9

About N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 60607198) has the molecular formula C21H26Cl2N2O4S and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID60607198
Molecular FormulaC21H26Cl2N2O4S
Molecular Weight473.42 g/mol
Exact Mass472.10
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H26Cl2N2O4S/c1-14-5-7-16(30(27,28)25-9-10-29-4)12-17(14)20(26)24-13-21(2,3)15-6-8-18(22)19(23)11-15/h5-8,11-12,25H,9-10,13H2,1-4H3,(H,24,26)
InChIKeyWDFDFTNPEUPNIK-UHFFFAOYSA-N
XLogP3.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
CID 60607437
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 39969897
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 46651612
2-chloro-5-(2-methoxyethylsulfamoyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31789852
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 60607198) is N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is WDFDFTNPEUPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O4S/c1-14-5-7-16(30(27,28)25-9-10-29-4)12-17(14)20(26)24-13-21(2,3)15-6-8-18(22)19(23)11-15/h5-8,11-12,25H,9-10,13H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 473.42 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 60607198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).