N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

C17H18F2N2O4S — CID 2209494

IUPACN-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O4S/c1-11-4-7-16(25-2)15(8-11)21(26(3,23)24)10-17(22)20-12-5-6-13(18)14(19)9-12/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyVTRLWUZJCCXPCI-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.69
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 2209494) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
PubChem CID2209494
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O4S/c1-11-4-7-16(25-2)15(8-11)21(26(3,23)24)10-17(22)20-12-5-6-13(18)14(19)9-12/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyVTRLWUZJCCXPCI-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28589406
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
ethyl 2-chloro-5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30398314
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(3,4-difluorophenyl)acetamide
CID 3360901
N-(2-bromophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1100120

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (CID 2209494) is N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is VTRLWUZJCCXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-11-4-7-16(25-2)15(8-11)21(26(3,23)24)10-17(22)20-12-5-6-13(18)14(19)9-12/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 384.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2209494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).