N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide

C18H20Cl2N2O3S — CID 17419461

IUPACN-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-2-3-9-21-26(24,25)16-6-4-5-15(12-16)22-18(23)10-13-7-8-14(19)11-17(13)20/h4-8,11-12,21H,2-3,9-10H2,1H3,(H,22,23)
InChIKeyVCMRVJWWJYSVCY-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.25
Rot. Bonds8

About N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide

N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide (PubChem CID 17419461) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
PubChem CID17419461
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-2-3-9-21-26(24,25)16-6-4-5-15(12-16)22-18(23)10-13-7-8-14(19)11-17(13)20/h4-8,11-12,21H,2-3,9-10H2,1H3,(H,22,23)
InChIKeyVCMRVJWWJYSVCY-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
2-(4-bromophenoxy)-N-[3-(butylsulfamoyl)phenyl]acetamide
CID 17482935
2-(2,4-dichlorophenyl)-N-(3-iodophenyl)acetamide
CID 7928403
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide (CID 17419461) is N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide is CCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
The InChIKey is VCMRVJWWJYSVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-2-3-9-21-26(24,25)16-6-4-5-15(12-16)22-18(23)10-13-7-8-14(19)11-17(13)20/h4-8,11-12,21H,2-3,9-10H2,1H3,(H,22,23).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide?
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide has a molecular weight of 415.34 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 17419461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).