2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide

C20H25FN2O3S — CID 113152077

IUPAC2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-15(2)18-6-4-5-7-19(18)22-20(24)14-23(27(3,25)26)13-12-16-8-10-17(21)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)
InChIKeyLXJMIGUJVBXFKC-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.39
Rot. Bonds8

About 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide

2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113152077) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113152077
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(CCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-15(2)18-6-4-5-7-19(18)22-20(24)14-23(27(3,25)26)13-12-16-8-10-17(21)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)
InChIKeyLXJMIGUJVBXFKC-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methylsulfonyl(prop-2-enyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113148147
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121143
N-butan-2-yl-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152008
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152095
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113137715

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide (CID 113152077) is 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN(CCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is LXJMIGUJVBXFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-15(2)18-6-4-5-7-19(18)22-20(24)14-23(27(3,25)26)13-12-16-8-10-17(21)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide?
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113152077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).