2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide

C18H21FN2O4S — CID 113150992

IUPAC2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-25-17-9-5-14(6-10-17)11-20-18(22)13-21(26(2,23)24)12-15-3-7-16(19)8-4-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyHBSKQLJPHIPBPA-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.91
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 113150992) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID113150992
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-25-17-9-5-14(6-10-17)11-20-18(22)13-21(26(2,23)24)12-15-3-7-16(19)8-4-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyHBSKQLJPHIPBPA-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
N-tert-butyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151280
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
2-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100751066
N-[(4-fluorophenyl)methyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148070
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113151927

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 113150992) is 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is HBSKQLJPHIPBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-25-17-9-5-14(6-10-17)11-20-18(22)13-21(26(2,23)24)12-15-3-7-16(19)8-4-15/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).