2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

C17H18F2N2O3S — CID 53280656

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O3S/c1-3-12-6-4-5-7-16(12)20-17(22)11-21(25(2,23)24)13-8-9-14(18)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyQRBYMWITRLVVFE-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.93
Rot. Bonds6

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 53280656) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
PubChem CID53280656
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O3S/c1-3-12-6-4-5-7-16(12)20-17(22)11-21(25(2,23)24)13-8-9-14(18)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyQRBYMWITRLVVFE-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113154460
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (CID 53280656) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is QRBYMWITRLVVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-3-12-6-4-5-7-16(12)20-17(22)11-21(25(2,23)24)13-8-9-14(18)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 53280656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).