methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate

C21H25FN2O5S — CID 43004196

IUPACmethyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C
InChIInChI=1S/C21H25FN2O5S/c1-15-7-12-18(30(27,28)24-17-10-8-16(22)9-11-17)14-19(15)21(26)23-13-5-3-4-6-20(25)29-2/h7-12,14,24H,3-6,13H2,1-2H3,(H,23,26)
InChIKeyNIJQAVQAMZYNTQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.40
Rot. Bonds10

About methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate

methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate (PubChem CID 43004196) has the molecular formula C21H25FN2O5S and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
PubChem CID43004196
Molecular FormulaC21H25FN2O5S
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Namemethyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C
InChIInChI=1S/C21H25FN2O5S/c1-15-7-12-18(30(27,28)24-17-10-8-16(22)9-11-17)14-19(15)21(26)23-13-5-3-4-6-20(25)29-2/h7-12,14,24H,3-6,13H2,1-2H3,(H,23,26)
InChIKeyNIJQAVQAMZYNTQ-UHFFFAOYSA-N
XLogP3.40
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate (CID 43004196) is methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C.
What is the InChIKey of methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate?
The InChIKey is NIJQAVQAMZYNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O5S/c1-15-7-12-18(30(27,28)24-17-10-8-16(22)9-11-17)14-19(15)21(26)23-13-5-3-4-6-20(25)29-2/h7-12,14,24H,3-6,13H2,1-2H3,(H,23,26).
What are the key properties of methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate?
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate has a molecular weight of 436.51 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate is sourced from PubChem (CID 43004196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).