N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

C17H18ClFN2O3S — CID 2990028

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(25(23,24)15-8-6-14(19)7-9-15)11-17(22)20-16-10-13(18)5-4-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyDXLBCSIUCDHMSZ-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.44
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 2990028) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID2990028
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-3-21(25(23,24)15-8-6-14(19)7-9-15)11-17(22)20-16-10-13(18)5-4-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyDXLBCSIUCDHMSZ-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 45372368
N-(2-benzoyl-4-chlorophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 45372698
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 92645586
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 43872024
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28543814
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 2990028) is N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is DXLBCSIUCDHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-3-21(25(23,24)15-8-6-14(19)7-9-15)11-17(22)20-16-10-13(18)5-4-12(16)2/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 384.86 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2990028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).