(2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

C17H17ClN2O5S — CID 2363156

IUPAC(2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-20(26(23,24)15-9-7-13(18)8-10-15)11-17(22)25-12-16(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyUPNKRERTQUBBIN-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.14
Rot. Bonds7

About (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate

(2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (PubChem CID 2363156) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
PubChem CID2363156
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name(2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
SMILESCN(CC(=O)OCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-20(26(23,24)15-9-7-13(18)8-10-15)11-17(22)25-12-16(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyUPNKRERTQUBBIN-UHFFFAOYSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate (CID 2363156) is (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is CN(CC(=O)OCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is UPNKRERTQUBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-20(26(23,24)15-9-7-13(18)8-10-15)11-17(22)25-12-16(21)19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate?
(2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 396.85 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 2363156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).