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

C16H22N2O7S — CID 119206282

IUPAC2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O7S/c1-3-17(11-15(19)20)16(21)12-4-5-13(24-2)14(10-12)26(22,23)18-6-8-25-9-7-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyJSTZLCOFOFOQSU-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.26
Rot. Bonds7

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

2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid (PubChem CID 119206282) has the molecular formula C16H22N2O7S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
PubChem CID119206282
Molecular FormulaC16H22N2O7S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H22N2O7S/c1-3-17(11-15(19)20)16(21)12-4-5-13(24-2)14(10-12)26(22,23)18-6-8-25-9-7-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyJSTZLCOFOFOQSU-UHFFFAOYSA-N
XLogP0.26
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55592249
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389189
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 17433061
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
CID 119205722
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55864986

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid (CID 119206282) is 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
The InChIKey is JSTZLCOFOFOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7S/c1-3-17(11-15(19)20)16(21)12-4-5-13(24-2)14(10-12)26(22,23)18-6-8-25-9-7-18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid?
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid has a molecular weight of 386.43 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid is sourced from PubChem (CID 119206282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).