2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

C20H22ClFN2O4S — CID 2917914

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H22ClFN2O4S/c21-16-5-9-19(10-6-16)29(26,27)24(13-15-3-7-17(22)8-4-15)14-20(25)23-12-18-2-1-11-28-18/h3-10,18H,1-2,11-14H2,(H,23,25)
InChIKeyBJEIBGNGVVRHGB-UHFFFAOYSA-N
MW440.92 g/mol
LogP2.97
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2917914) has the molecular formula C20H22ClFN2O4S and a molecular weight of 440.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2917914
Molecular FormulaC20H22ClFN2O4S
Molecular Weight440.92 g/mol
Exact Mass440.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H22ClFN2O4S/c21-16-5-9-19(10-6-16)29(26,27)24(13-15-3-7-17(22)8-4-15)14-20(25)23-12-18-2-1-11-28-18/h3-10,18H,1-2,11-14H2,(H,23,25)
InChIKeyBJEIBGNGVVRHGB-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2300422
N~2~-(4-chlorobenzyl)-N~2~-(methylsulfonyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2967191
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2971829
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
N-(2-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206899
N-(4-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206901
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
2-(4-Chloro-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N-p-tolyl-acetamide
CID 3207136
N1-(4-chlorobenzyl)-N2-((3-((2,5-difluorophenyl)sulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 18561455
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(4-sulfamoylphenethyl)oxalamide
CID 18561505

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide (CID 2917914) is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BJEIBGNGVVRHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4S/c21-16-5-9-19(10-6-16)29(26,27)24(13-15-3-7-17(22)8-4-15)14-20(25)23-12-18-2-1-11-28-18/h3-10,18H,1-2,11-14H2,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 440.92 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2917914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).