N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide

C18H20ClFN2O3S — CID 113067077

IUPACN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(13-14-5-7-16(19)8-6-14)10-9-21-18(23)12-15-3-2-4-17(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyVQKVWWALRJMMOM-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.60
Rot. Bonds8

About N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113067077) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113067077
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(13-14-5-7-16(19)8-6-14)10-9-21-18(23)12-15-3-2-4-17(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyVQKVWWALRJMMOM-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[[N-[(4-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111293486
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113067077) is N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide is CS(=O)(=O)N(CCNC(=O)Cc1cccc(F)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is VQKVWWALRJMMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(13-14-5-7-16(19)8-6-14)10-9-21-18(23)12-15-3-2-4-17(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 398.89 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113067077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).