benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate

C20H21FN2O6S — CID 24643713

IUPACbenzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)OCc1ccccc1
InChIInChI=1S/C20H21FN2O6S/c21-18-7-6-16(30(26,27)23-8-10-28-11-9-23)12-17(18)20(25)22-13-19(24)29-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25)
InChIKeyIGUXOZNDZDPJOP-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.32
Rot. Bonds7

About benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate

benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate (PubChem CID 24643713) has the molecular formula C20H21FN2O6S and a molecular weight of 436.46 g/mol. Its IUPAC name is benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
PubChem CID24643713
Molecular FormulaC20H21FN2O6S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC Namebenzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)OCc1ccccc1
InChIInChI=1S/C20H21FN2O6S/c21-18-7-6-16(30(26,27)23-8-10-28-11-9-23)12-17(18)20(25)22-13-19(24)29-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25)
InChIKeyIGUXOZNDZDPJOP-UHFFFAOYSA-N
XLogP1.32
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 22830492
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55337584
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
CID 55360382
N-(1-benzyl-1,2,4-triazol-3-yl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55856407
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate (CID 24643713) is benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate is O=C(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate?
The InChIKey is IGUXOZNDZDPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O6S/c21-18-7-6-16(30(26,27)23-8-10-28-11-9-23)12-17(18)20(25)22-13-19(24)29-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25).
What are the key properties of benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate?
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate has a molecular weight of 436.46 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate is sourced from PubChem (CID 24643713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).