N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide

C18H21FN2O3S — CID 113054618

IUPACN-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)Cc1ccccc1F
InChIInChI=1S/C18H21FN2O3S/c1-14-6-5-8-17(12-14)25(23,24)20-10-11-21(15(2)22)13-16-7-3-4-9-18(16)19/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyUHQJUOQRSBUDJI-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.46
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide

N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113054618) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113054618
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)Cc1ccccc1F
InChIInChI=1S/C18H21FN2O3S/c1-14-6-5-8-17(12-14)25(23,24)20-10-11-21(15(2)22)13-16-7-3-4-9-18(16)19/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyUHQJUOQRSBUDJI-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054619
N-[(4-methylphenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054409
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113055801
N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056912
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113054180
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
N-[(2-fluorophenyl)methyl]-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113054620
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113054618) is N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is UHQJUOQRSBUDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-6-5-8-17(12-14)25(23,24)20-10-11-21(15(2)22)13-16-7-3-4-9-18(16)19/h3-9,12,20H,10-11,13H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 364.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113054618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).