2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid

C14H22N2O6S — CID 99984056

IUPAC2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
SMILESCOCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1
InChIInChI=1S/C14H22N2O6S/c1-21-8-3-6-16-23(19,20)11-4-5-13(15-7-9-22-2)12(10-11)14(17)18/h4-5,10,15-16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyRXYXQELVPCBSIE-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.76
Rot. Bonds11

About 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid

2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid (PubChem CID 99984056) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
PubChem CID99984056
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
SMILESCOCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1
InChIInChI=1S/C14H22N2O6S/c1-21-8-3-6-16-23(19,20)11-4-5-13(15-7-9-22-2)12(10-11)14(17)18/h4-5,10,15-16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyRXYXQELVPCBSIE-UHFFFAOYSA-N
XLogP0.76
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984062
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(3-methoxypropylamino)benzoic acid
CID 99985030
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
2-(ethylamino)-5-(3-hydroxypropylsulfamoyl)benzoic acid
CID 99988211
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
CID 99983760
2-(benzylamino)-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986088
2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490
5-amino-2-(2-methoxyethylamino)benzoic acid
CID 60988686

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid (CID 99984056) is 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid is COCCCNS(=O)(=O)c1ccc(NCCOC)c(C(=O)O)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
The InChIKey is RXYXQELVPCBSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-21-8-3-6-16-23(19,20)11-4-5-13(15-7-9-22-2)12(10-11)14(17)18/h4-5,10,15-16H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid?
2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid has a molecular weight of 346.41 g/mol, XLogP of 0.76, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 99984056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).