N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide

C18H21FN2O3S — CID 47062885

IUPACN-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1cc(F)ccc1C)C(C)=O
InChIInChI=1S/C18H21FN2O3S/c1-4-21(14(3)22)12-15-7-5-6-8-17(15)20-25(23,24)18-11-16(19)10-9-13(18)2/h5-11,20H,4,12H2,1-3H3
InChIKeyBLTPQJWDLCESDS-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide

N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide (PubChem CID 47062885) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
PubChem CID47062885
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1cc(F)ccc1C)C(C)=O
InChIInChI=1S/C18H21FN2O3S/c1-4-21(14(3)22)12-15-7-5-6-8-17(15)20-25(23,24)18-11-16(19)10-9-13(18)2/h5-11,20H,4,12H2,1-3H3
InChIKeyBLTPQJWDLCESDS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500
N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532304
ethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]-3-bromobenzoate
CID 39869856
methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 39869765
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 36856140
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
N-ethyl-N-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 47062882
N-ethyl-N-[[2-[[(Z)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 94619751
3-[2-[2-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 158528595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide (CID 47062885) is N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide is CCN(Cc1ccccc1NS(=O)(=O)c1cc(F)ccc1C)C(C)=O.
What is the InChIKey of N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
The InChIKey is BLTPQJWDLCESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-4-21(14(3)22)12-15-7-5-6-8-17(15)20-25(23,24)18-11-16(19)10-9-13(18)2/h5-11,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide?
N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 47062885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).