N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide

C17H18Cl2N2O3S2 — CID 2176580

IUPACN-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S2/c1-12(22)21-13-5-7-14(8-6-13)26(23,24)20-9-10-25-11-15-16(18)3-2-4-17(15)19/h2-8,20H,9-11H2,1H3,(H,21,22)
InChIKeyWSSZGAOWUUSADN-UHFFFAOYSA-N
MW433.38 g/mol
LogP4.16
Rot. Bonds8

About N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide

N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide (PubChem CID 2176580) has the molecular formula C17H18Cl2N2O3S2 and a molecular weight of 433.38 g/mol. Its IUPAC name is N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide
PubChem CID2176580
Molecular FormulaC17H18Cl2N2O3S2
Molecular Weight433.38 g/mol
Exact Mass432.01
IUPAC NameN-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S2/c1-12(22)21-13-5-7-14(8-6-13)26(23,24)20-9-10-25-11-15-16(18)3-2-4-17(15)19/h2-8,20H,9-11H2,1H3,(H,21,22)
InChIKeyWSSZGAOWUUSADN-UHFFFAOYSA-N
XLogP4.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide (CID 2176580) is N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide?
The InChIKey is WSSZGAOWUUSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S2/c1-12(22)21-13-5-7-14(8-6-13)26(23,24)20-9-10-25-11-15-16(18)3-2-4-17(15)19/h2-8,20H,9-11H2,1H3,(H,21,22).
What are the key properties of N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide has a molecular weight of 433.38 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2176580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).