2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide

C17H19ClN2O3S — CID 21156472

IUPAC2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-13(15-5-3-2-4-6-15)20-17(21)11-19-24(22,23)12-14-7-9-16(18)10-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyHPHPGHQEEFCIMX-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.64
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide

2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide (PubChem CID 21156472) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
PubChem CID21156472
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-13(15-5-3-2-4-6-15)20-17(21)11-19-24(22,23)12-14-7-9-16(18)10-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyHPHPGHQEEFCIMX-UHFFFAOYSA-N
XLogP2.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
2-[(4-chlorophenyl)methylsulfonylamino]-N-phenylacetamide
CID 51711268
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylsulfonylamino]acetamide
CID 110285326
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide (CID 21156472) is 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is HPHPGHQEEFCIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13(15-5-3-2-4-6-15)20-17(21)11-19-24(22,23)12-14-7-9-16(18)10-8-14/h2-10,13,19H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide?
2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 21156472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).