2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C18H21FN2O3S — CID 1095277

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)14-8-10-15(11-9-14)20-18(22)12-21(25(3,23)24)17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyZXJDSENCCQKFBY-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.35
Rot. Bonds6

About 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1095277) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1095277
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)14-8-10-15(11-9-14)20-18(22)12-21(25(3,23)24)17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyZXJDSENCCQKFBY-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343028
N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 2209357
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288310
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43882420

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 1095277) is 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZXJDSENCCQKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(2)14-8-10-15(11-9-14)20-18(22)12-21(25(3,23)24)17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1095277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).