4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C17H24N2O6S — CID 119230330

IUPAC4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H24N2O6S/c1-25-10-9-18-26(23,24)15-4-2-3-13(11-15)16(20)19-14-7-5-12(6-8-14)17(21)22/h2-4,11-12,14,18H,5-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyWYPOTMWKRLNRQW-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.98
Rot. Bonds8

About 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230330) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230330
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H24N2O6S/c1-25-10-9-18-26(23,24)15-4-2-3-13(11-15)16(20)19-14-7-5-12(6-8-14)17(21)22/h2-4,11-12,14,18H,5-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyWYPOTMWKRLNRQW-UHFFFAOYSA-N
XLogP0.98
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid
CID 119195487

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 119230330) is 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is COCCNS(=O)(=O)c1cccc(C(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WYPOTMWKRLNRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-25-10-9-18-26(23,24)15-4-2-3-13(11-15)16(20)19-14-7-5-12(6-8-14)17(21)22/h2-4,11-12,14,18H,5-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 384.45 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).