N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide

C18H21Cl2N3O4S — CID 34926420

IUPACN-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
SMILESCCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N3O4S/c1-2-23(12-17(24)22-18-15(19)4-3-5-16(18)20)10-11-27-13-6-8-14(9-7-13)28(21,25)26/h3-9H,2,10-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyAOKKWTPUDFSCOX-UHFFFAOYSA-N
MW446.36 g/mol
LogP2.98
Rot. Bonds9

About N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide (PubChem CID 34926420) has the molecular formula C18H21Cl2N3O4S and a molecular weight of 446.36 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
PubChem CID34926420
Molecular FormulaC18H21Cl2N3O4S
Molecular Weight446.36 g/mol
Exact Mass445.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
SMILESCCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H21Cl2N3O4S/c1-2-23(12-17(24)22-18-15(19)4-3-5-16(18)20)10-11-27-13-6-8-14(9-7-13)28(21,25)26/h3-9H,2,10-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyAOKKWTPUDFSCOX-UHFFFAOYSA-N
XLogP2.98
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524
ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate
CID 8792057
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxypropyl)acetamide
CID 78827820
N-(3-chloro-2-methylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373189
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(2,6-dichlorophenyl)acetamide
CID 126328873

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide (CID 34926420) is N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide is CCN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
The InChIKey is AOKKWTPUDFSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4S/c1-2-23(12-17(24)22-18-15(19)4-3-5-16(18)20)10-11-27-13-6-8-14(9-7-13)28(21,25)26/h3-9H,2,10-12H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide has a molecular weight of 446.36 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 34926420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).