2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H21Cl2N3O3S — CID 2536589

IUPAC2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N3O3S/c1-23(11-14-4-5-15(19)10-17(14)20)12-18(24)22-9-8-13-2-6-16(7-3-13)27(21,25)26/h2-7,10H,8-9,11-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyRYVBEPFPNHAENK-UHFFFAOYSA-N
MW430.36 g/mol
LogP2.43
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2536589) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2536589
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N3O3S/c1-23(11-14-4-5-15(19)10-17(14)20)12-18(24)22-9-8-13-2-6-16(7-3-13)27(21,25)26/h2-7,10H,8-9,11-12H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyRYVBEPFPNHAENK-UHFFFAOYSA-N
XLogP2.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2536589) is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is RYVBEPFPNHAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3S/c1-23(11-14-4-5-15(19)10-17(14)20)12-18(24)22-9-8-13-2-6-16(7-3-13)27(21,25)26/h2-7,10H,8-9,11-12H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 430.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2536589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).