ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate

C14H21NO4S — CID 14879144

IUPACethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO4S/c1-4-19-14(16)10-15(12(2)3)20(17,18)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyCQGMSWZHXWPOBN-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.79
Rot. Bonds7

About ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate

ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate (PubChem CID 14879144) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate
PubChem CID14879144
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Nameethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO4S/c1-4-19-14(16)10-15(12(2)3)20(17,18)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyCQGMSWZHXWPOBN-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate (CID 14879144) is ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate?
The InChIKey is CQGMSWZHXWPOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-19-14(16)10-15(12(2)3)20(17,18)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate?
ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate has a molecular weight of 299.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzylsulfonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 14879144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).