2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

C17H19FN2O5S — CID 2282293

IUPAC2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H19FN2O5S/c1-24-15-9-8-14(10-16(15)25-2)20(26(3,22)23)11-17(21)19-13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyBRDDQGIXMFCCGF-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.25
Rot. Bonds7

About 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 2282293) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID2282293
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H19FN2O5S/c1-24-15-9-8-14(10-16(15)25-2)20(26(3,22)23)11-17(21)19-13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyBRDDQGIXMFCCGF-UHFFFAOYSA-N
XLogP2.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3139067
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221074
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
N-(4-chlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126143002
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide (CID 2282293) is 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is BRDDQGIXMFCCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-24-15-9-8-14(10-16(15)25-2)20(26(3,22)23)11-17(21)19-13-6-4-12(18)5-7-13/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide?
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 382.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2282293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).