2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide

C17H18FN3O4S — CID 31773469

IUPAC2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C17H18FN3O4S/c1-11(22)20-16-9-13(5-8-15(16)18)19-10-17(23)21-12-3-6-14(7-4-12)26(2,24)25/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyADTZTEZOTFENJC-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide

2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 31773469) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID31773469
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C17H18FN3O4S/c1-11(22)20-16-9-13(5-8-15(16)18)19-10-17(23)21-12-3-6-14(7-4-12)26(2,24)25/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyADTZTEZOTFENJC-UHFFFAOYSA-N
XLogP2.24
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamido-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 31766622
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
2-(3-acetamido-4-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 31768609
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
ethyl 2-[[2-(3-acetamido-4-fluoroanilino)acetyl]amino]benzoate
CID 31767371
2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 31773664
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide (CID 31773469) is 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide is CC(=O)Nc1cc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1F.
What is the InChIKey of 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ADTZTEZOTFENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-11(22)20-16-9-13(5-8-15(16)18)19-10-17(23)21-12-3-6-14(7-4-12)26(2,24)25/h3-9,19H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide?
2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 379.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-fluoroanilino)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 31773469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).