2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide

C17H17F2N3O4S — CID 113155767

IUPAC2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F2N3O4S/c1-11(23)20-12-4-3-5-14(8-12)22(27(2,25)26)10-17(24)21-13-6-7-15(18)16(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPRQBNJWGYYISCK-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.33
Rot. Bonds6

About 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide

2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide (PubChem CID 113155767) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
PubChem CID113155767
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC Name2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F2N3O4S/c1-11(23)20-12-4-3-5-14(8-12)22(27(2,25)26)10-17(24)21-13-6-7-15(18)16(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPRQBNJWGYYISCK-UHFFFAOYSA-N
XLogP2.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113157714
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113154460
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 1317768
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide (CID 113155767) is 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide is CC(=O)Nc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is PRQBNJWGYYISCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c1-11(23)20-12-4-3-5-14(8-12)22(27(2,25)26)10-17(24)21-13-6-7-15(18)16(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide?
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 397.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113155767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).