methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate

C14H20N2O5S — CID 25181352

IUPACmethyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-21-13(17)5-3-2-4-10-16-14(18)11-6-8-12(9-7-11)22(15,19)20/h6-9H,2-5,10H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyOGMOFMMRPDYGEX-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.80
Rot. Bonds8

About methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate

methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate (PubChem CID 25181352) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
PubChem CID25181352
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namemethyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O5S/c1-21-13(17)5-3-2-4-10-16-14(18)11-6-8-12(9-7-11)22(15,19)20/h6-9H,2-5,10H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyOGMOFMMRPDYGEX-UHFFFAOYSA-N
XLogP0.80
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 7-[(4-sulfamoylbenzoyl)amino]heptyl hydrogen phosphate
CID 165163701
methyl 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoate
CID 9404633
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
methyl 6-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221043
methyl 6-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]hexanoate
CID 9221041
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
6-oxo-N-[5-[(4-sulfamoylbenzoyl)amino]pentyl]-1H-pyridine-3-carboxamide
CID 118335380
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate?
The IUPAC name of methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate (CID 25181352) is methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate?
The InChIKey is OGMOFMMRPDYGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-21-13(17)5-3-2-4-10-16-14(18)11-6-8-12(9-7-11)22(15,19)20/h6-9H,2-5,10H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate?
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate has a molecular weight of 328.39 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate is sourced from PubChem (CID 25181352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).