N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide

C18H19FN2O4S — CID 113061610

IUPACN-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)c1cccc(N(CCNS(=O)(=O)c2ccc(F)cc2)C(C)=O)c1
InChIInChI=1S/C18H19FN2O4S/c1-13(22)15-4-3-5-17(12-15)21(14(2)23)11-10-20-26(24,25)18-8-6-16(19)7-9-18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyDVQKYMHKURSBCF-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.36
Rot. Bonds7

About N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide

N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113061610) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
PubChem CID113061610
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)c1cccc(N(CCNS(=O)(=O)c2ccc(F)cc2)C(C)=O)c1
InChIInChI=1S/C18H19FN2O4S/c1-13(22)15-4-3-5-17(12-15)21(14(2)23)11-10-20-26(24,25)18-8-6-16(19)7-9-18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyDVQKYMHKURSBCF-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113061619
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-(3-fluorophenyl)-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113062684
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 110454141
N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113064563
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
CID 113061547
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide (CID 113061610) is N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide is CC(=O)c1cccc(N(CCNS(=O)(=O)c2ccc(F)cc2)C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is DVQKYMHKURSBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13(22)15-4-3-5-17(12-15)21(14(2)23)11-10-20-26(24,25)18-8-6-16(19)7-9-18/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide?
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113061610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).