2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

C18H21FN2O3S — CID 47078779

IUPAC2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H21FN2O3S/c1-3-11-25(23,24)21-17-6-4-5-16(13(17)2)20-18(22)12-14-7-9-15(19)10-8-14/h4-10,21H,3,11-12H2,1-2H3,(H,20,22)
InChIKeySPOQPUONEWNERH-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.47
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide

2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide (PubChem CID 47078779) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
PubChem CID47078779
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H21FN2O3S/c1-3-11-25(23,24)21-17-6-4-5-16(13(17)2)20-18(22)12-14-7-9-15(19)10-8-14/h4-10,21H,3,11-12H2,1-2H3,(H,20,22)
InChIKeySPOQPUONEWNERH-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
CID 47078775
4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 48541562
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
CID 48541773
N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
CID 119301618
tert-butyl N-[3-[2-methyl-3-(propylsulfonylamino)anilino]-3-oxopropyl]carbamate
CID 48541913
methyl 4-[[2-methyl-3-(propylsulfonylamino)phenyl]carbamoyl]benzoate
CID 48541505
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 52762484
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide (CID 47078779) is 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide is CCCS(=O)(=O)Nc1cccc(NC(=O)Cc2ccc(F)cc2)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
The InChIKey is SPOQPUONEWNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-11-25(23,24)21-17-6-4-5-16(13(17)2)20-18(22)12-14-7-9-15(19)10-8-14/h4-10,21H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide?
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 47078779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).