N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

C17H18F2N2O5S — CID 1290557

IUPACN-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1
InChIInChI=1S/C17H18F2N2O5S/c1-25-12-5-7-16(26-2)15(9-12)21(27(3,23)24)10-17(22)20-14-6-4-11(18)8-13(14)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyPXJYVNODPOINEZ-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.39
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1290557) has the molecular formula C17H18F2N2O5S and a molecular weight of 400.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1290557
Molecular FormulaC17H18F2N2O5S
Molecular Weight400.40 g/mol
Exact Mass400.09
IUPAC NameN-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1
InChIInChI=1S/C17H18F2N2O5S/c1-25-12-5-7-16(26-2)15(9-12)21(27(3,23)24)10-17(22)20-14-6-4-11(18)8-13(14)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyPXJYVNODPOINEZ-UHFFFAOYSA-N
XLogP2.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1306853
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 1298122
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3139067
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 94012884
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
CID 1072216
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 1326607
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 4659789
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 2957888
N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342784
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (CID 1290557) is N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is PXJYVNODPOINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S/c1-25-12-5-7-16(26-2)15(9-12)21(27(3,23)24)10-17(22)20-14-6-4-11(18)8-13(14)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 400.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1290557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).