2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide

C19H21F2N3O5S — CID 37174879

IUPAC2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H21F2N3O5S/c1-28-17-9-8-15(30(26,27)24-13-2-3-13)10-16(17)22-11-18(25)23-12-4-6-14(7-5-12)29-19(20)21/h4-10,13,19,22,24H,2-3,11H2,1H3,(H,23,25)
InChIKeyDJGULUOOSGDDIN-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.79
Rot. Bonds10

About 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 37174879) has the molecular formula C19H21F2N3O5S and a molecular weight of 441.46 g/mol. Its IUPAC name is 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID37174879
Molecular FormulaC19H21F2N3O5S
Molecular Weight441.46 g/mol
Exact Mass441.12
IUPAC Name2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H21F2N3O5S/c1-28-17-9-8-15(30(26,27)24-13-2-3-13)10-16(17)22-11-18(25)23-12-4-6-14(7-5-12)29-19(20)21/h4-10,13,19,22,24H,2-3,11H2,1H3,(H,23,25)
InChIKeyDJGULUOOSGDDIN-UHFFFAOYSA-N
XLogP2.79
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
N-[4-(cyclopropylsulfamoyl)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34431227
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
2-(4-chloro-2-methoxy-5-methylanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9102876
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25349723
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 34274025
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 37174879) is 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is DJGULUOOSGDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5S/c1-28-17-9-8-15(30(26,27)24-13-2-3-13)10-16(17)22-11-18(25)23-12-4-6-14(7-5-12)29-19(20)21/h4-10,13,19,22,24H,2-3,11H2,1H3,(H,23,25).
What are the key properties of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 441.46 g/mol, XLogP of 2.79, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 37174879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).