4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid

C17H24N2O6S — CID 122068703

IUPAC4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C17H24N2O6S/c1-17(2,10-9-16(21)22)19-26(23,24)14-7-5-13(6-8-14)25-11-15(20)18-12-3-4-12/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyYVRUIBNLZJTAMX-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.27
Rot. Bonds10

About 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid

4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid (PubChem CID 122068703) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid
PubChem CID122068703
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C17H24N2O6S/c1-17(2,10-9-16(21)22)19-26(23,24)14-7-5-13(6-8-14)25-11-15(20)18-12-3-4-12/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyYVRUIBNLZJTAMX-UHFFFAOYSA-N
XLogP1.27
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548
N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 4574357
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
4-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]pentanoic acid
CID 62041332
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 3886490
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid (CID 122068703) is 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid?
The InChIKey is YVRUIBNLZJTAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-17(2,10-9-16(21)22)19-26(23,24)14-7-5-13(6-8-14)25-11-15(20)18-12-3-4-12/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid?
4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid has a molecular weight of 384.45 g/mol, XLogP of 1.27, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122068703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).