(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate

C17H18N2O5S — CID 7681594

IUPAC(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate
SMILESNC(=O)COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O5S/c18-16(20)13-24-17(21)12-19(11-14-7-3-1-4-8-14)25(22,23)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,18,20)
InChIKeyINMCQDKPUGMIKZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.91
Rot. Bonds8

About (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate

(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate (PubChem CID 7681594) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate
PubChem CID7681594
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate
SMILESNC(=O)COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O5S/c18-16(20)13-24-17(21)12-19(11-14-7-3-1-4-8-14)25(22,23)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,18,20)
InChIKeyINMCQDKPUGMIKZ-UHFFFAOYSA-N
XLogP0.91
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
ethyl 2-[benzyl-(3-cyanophenyl)sulfonylamino]acetate
CID 3854313
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]acetic acid
CID 154080670
3-[[benzenesulfonyl(benzyl)amino]methyl]benzamide
CID 91589407
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
CID 50894603
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate (CID 7681594) is (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate is NC(=O)COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate?
The InChIKey is INMCQDKPUGMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-16(20)13-24-17(21)12-19(11-14-7-3-1-4-8-14)25(22,23)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,18,20).
What are the key properties of (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate?
(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate has a molecular weight of 362.41 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate is sourced from PubChem (CID 7681594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).