2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid

C14H18N2O7S — CID 119247934

IUPAC2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18N2O7S/c1-22-12-3-2-10(24(15,20)21)7-11(12)14(19)16-4-5-23-9(8-16)6-13(17)18/h2-3,7,9H,4-6,8H2,1H3,(H,17,18)(H2,15,20,21)
InChIKeyHUVIWABSJMHMPT-UHFFFAOYSA-N
MW358.37 g/mol
LogP-0.34
Rot. Bonds5

About 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119247934) has the molecular formula C14H18N2O7S and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID119247934
Molecular FormulaC14H18N2O7S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18N2O7S/c1-22-12-3-2-10(24(15,20)21)7-11(12)14(19)16-4-5-23-9(8-16)6-13(17)18/h2-3,7,9H,4-6,8H2,1H3,(H,17,18)(H2,15,20,21)
InChIKeyHUVIWABSJMHMPT-UHFFFAOYSA-N
XLogP-0.34
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid
CID 119248737
4-methoxy-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576893
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 119247655
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-methoxybenzenesulfonamide
CID 120747556
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891
[(2S)-2-ethyl-1,4-oxazepan-4-yl]-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 100693385
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid (CID 119247934) is 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is HUVIWABSJMHMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O7S/c1-22-12-3-2-10(24(15,20)21)7-11(12)14(19)16-4-5-23-9(8-16)6-13(17)18/h2-3,7,9H,4-6,8H2,1H3,(H,17,18)(H2,15,20,21).
What are the key properties of 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 358.37 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).