N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide

C18H18Cl2N2O4S — CID 78863315

IUPACN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C18H18Cl2N2O4S/c19-13-3-8-17(16(20)9-13)26-11-18(23)22-14-4-6-15(7-5-14)27(24,25)21-10-12-1-2-12/h3-9,12,21H,1-2,10-11H2,(H,22,23)
InChIKeyAQFNIEFNPQPJIN-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.70
Rot. Bonds8

About N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide

N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 78863315) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID78863315
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC NameN-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C18H18Cl2N2O4S/c19-13-3-8-17(16(20)9-13)26-11-18(23)22-14-4-6-15(7-5-14)27(24,25)21-10-12-1-2-12/h3-9,12,21H,1-2,10-11H2,(H,22,23)
InChIKeyAQFNIEFNPQPJIN-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4693583
2-(2,4-dichlorophenoxy)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105937
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 976414
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752
2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 978969
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide (CID 78863315) is N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is AQFNIEFNPQPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-13-3-8-17(16(20)9-13)26-11-18(23)22-14-4-6-15(7-5-14)27(24,25)21-10-12-1-2-12/h3-9,12,21H,1-2,10-11H2,(H,22,23).
What are the key properties of N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 429.33 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 78863315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).