2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid

C13H16N2O6S — CID 24691198

IUPAC2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O6S/c16-12(17)9-14-13(18)10-2-1-3-11(8-10)22(19,20)15-4-6-21-7-5-15/h1-3,8H,4-7,9H2,(H,14,18)(H,16,17)
InChIKeyUNPXNMHGETZRIX-UHFFFAOYSA-N
MW328.35 g/mol
LogP-0.48
Rot. Bonds5

About 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid

2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid (PubChem CID 24691198) has the molecular formula C13H16N2O6S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
PubChem CID24691198
Molecular FormulaC13H16N2O6S
Molecular Weight328.35 g/mol
Exact Mass328.07
IUPAC Name2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H16N2O6S/c16-12(17)9-14-13(18)10-2-1-3-11(8-10)22(19,20)15-4-6-21-7-5-15/h1-3,8H,4-7,9H2,(H,14,18)(H,16,17)
InChIKeyUNPXNMHGETZRIX-UHFFFAOYSA-N
XLogP-0.48
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2711286
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
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3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
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CID 32775606

Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid (CID 24691198) is 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The InChIKey is UNPXNMHGETZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6S/c16-12(17)9-14-13(18)10-2-1-3-11(8-10)22(19,20)15-4-6-21-7-5-15/h1-3,8H,4-7,9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid has a molecular weight of 328.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid is sourced from PubChem (CID 24691198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).