N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide

C18H20F2N2O4S — CID 78808557

IUPACN-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2O4S/c1-12-3-6-15(22-13(2)23)11-17(12)27(24,25)21-10-9-14-4-7-16(8-5-14)26-18(19)20/h3-8,11,18,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyPBTRAQDVLRHYGF-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.08
Rot. Bonds8

About N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide

N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide (PubChem CID 78808557) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
PubChem CID78808557
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2O4S/c1-12-3-6-15(22-13(2)23)11-17(12)27(24,25)21-10-9-14-4-7-16(8-5-14)26-18(19)20/h3-8,11,18,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyPBTRAQDVLRHYGF-UHFFFAOYSA-N
XLogP3.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 31113542
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
CID 65034115
2-(4-acetamidophenyl)sulfanyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 26599961
3-[(5-acetamido-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165436
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 29350993
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38503560
N-[2-[4-(difluoromethoxy)phenyl]ethyl]naphthalene-2-sulfonamide
CID 8815415
N-(5-acetamido-2-methoxyphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 33178137
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 115301298
N-[4-[2-[[N-[[4-(difluoromethoxy)phenyl]methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111287683

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide (CID 78808557) is N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is PBTRAQDVLRHYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-12-3-6-15(22-13(2)23)11-17(12)27(24,25)21-10-9-14-4-7-16(8-5-14)26-18(19)20/h3-8,11,18,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide?
N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 398.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(difluoromethoxy)phenyl]ethylsulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 78808557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).