N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

C17H18ClFN2O3S — CID 2118894

IUPACN-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-9-7-15(19)8-10-16)12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyWAIYNJYTDCIRIB-UHFFFAOYSA-N
MW384.86 g/mol
LogP2.81
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 2118894) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID2118894
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-9-7-15(19)8-10-16)12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyWAIYNJYTDCIRIB-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
hydroxamate deriv. B9
CID 23645795
hydroxamate deriv. D1
CID 23645830
2-(4-bromo-N-phenethylphenylsulfonamido)-N-(4-chlorobenzyl)acetamide
CID 1120653
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127096
2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,4-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71453379
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-4-methylpentanamide
CID 71455080
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3,5-difluorophenyl)methyl]amino]-4-methylpentanamide
CID 71456884
(2R)-2-[benzyl-(4-chlorophenyl)sulfonylamino]-4-methylpentanamide
CID 71458731
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-4-methylpentanamide
CID 71460557
2-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}-N-(2-phenylethyl)acetamide
CID 2243237

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 2118894) is N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is WAIYNJYTDCIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-9-7-15(19)8-10-16)12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 384.86 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2118894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).