N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide

C18H19F2N3O4S — CID 30857477

IUPACN-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
SMILESCc1ccccc1N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H19F2N3O4S/c1-12-5-3-4-6-16(12)23(28(2,26)27)11-18(25)21-10-17(24)22-13-7-8-14(19)15(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyXGMAZXWFDDIWFD-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.79
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide (PubChem CID 30857477) has the molecular formula C18H19F2N3O4S and a molecular weight of 411.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
PubChem CID30857477
Molecular FormulaC18H19F2N3O4S
Molecular Weight411.43 g/mol
Exact Mass411.11
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
SMILESCc1ccccc1N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H19F2N3O4S/c1-12-5-3-4-6-16(12)23(28(2,26)27)11-18(25)21-10-17(24)22-13-7-8-14(19)15(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyXGMAZXWFDDIWFD-UHFFFAOYSA-N
XLogP1.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
N-(3,4-difluorophenyl)-2-[[2-(N,2,5-trimethylanilino)acetyl]amino]acetamide
CID 55863997
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156712
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113154460
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide (CID 30857477) is N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide is Cc1ccccc1N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide?
The InChIKey is XGMAZXWFDDIWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4S/c1-12-5-3-4-6-16(12)23(28(2,26)27)11-18(25)21-10-17(24)22-13-7-8-14(19)15(20)9-13/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide has a molecular weight of 411.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide is sourced from PubChem (CID 30857477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).