N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C18H21FN2O4S — CID 113155162

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)NCCc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O4S/c1-25-16-8-5-7-15(12-16)21(26(2,23)24)13-18(22)20-11-10-14-6-3-4-9-17(14)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQSADGHUPBADUQR-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.96
Rot. Bonds8

About N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 113155162) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID113155162
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)NCCc2ccccc2F)S(C)(=O)=O)c1
InChIInChI=1S/C18H21FN2O4S/c1-25-16-8-5-7-15(12-16)21(26(2,23)24)13-18(22)20-11-10-14-6-3-4-9-17(14)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQSADGHUPBADUQR-UHFFFAOYSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30220067
N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 113155171
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 126035068
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30220090
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1306853
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113154876
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280775
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 113155162) is N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide is COc1cccc(N(CC(=O)NCCc2ccccc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is QSADGHUPBADUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-25-16-8-5-7-15(12-16)21(26(2,23)24)13-18(22)20-11-10-14-6-3-4-9-17(14)19/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 380.44 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113155162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).