2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide

C15H21ClN2O4S — CID 2971829

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-2-18(11-15(19)17-10-13-4-3-9-22-13)23(20,21)14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyFSXVIEATTIMPJI-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.65
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2971829) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2971829
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-2-18(11-15(19)17-10-13-4-3-9-22-13)23(20,21)14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)
InChIKeyFSXVIEATTIMPJI-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
4-[(4-Chlorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 5091965
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(3-morpholinopropyl)oxalamide
CID 16807588
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834151
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
CID 56834259
[2-(Cyclopentylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2388239
2-[benzenesulfonyl(cyclohexyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 3149553
2-(4-Chloro-benzenesulfonylamino)-N-cyclopentylcarbamoylmethyl-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207090
2-Benzenesulfonylamino-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207195

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 2971829) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide is CCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is FSXVIEATTIMPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-2-18(11-15(19)17-10-13-4-3-9-22-13)23(20,21)14-7-5-12(16)6-8-14/h5-8,13H,2-4,9-11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2971829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).