methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate

C24H29FN2O6S — CID 55994145

IUPACmethyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1)c1ccc(F)cc1
InChIInChI=1S/C24H29FN2O6S/c1-16-6-4-5-13-27(16)34(30,31)22-14-18(9-12-21(22)32-2)24(29)26-20(15-23(28)33-3)17-7-10-19(25)11-8-17/h7-12,14,16,20H,4-6,13,15H2,1-3H3,(H,26,29)
InChIKeyRYYFGFHXRJNXHU-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.43
Rot. Bonds8

About methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate

methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate (PubChem CID 55994145) has the molecular formula C24H29FN2O6S and a molecular weight of 492.57 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
PubChem CID55994145
Molecular FormulaC24H29FN2O6S
Molecular Weight492.57 g/mol
Exact Mass492.17
IUPAC Namemethyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1)c1ccc(F)cc1
InChIInChI=1S/C24H29FN2O6S/c1-16-6-4-5-13-27(16)34(30,31)22-14-18(9-12-21(22)32-2)24(29)26-20(15-23(28)33-3)17-7-10-19(25)11-8-17/h7-12,14,16,20H,4-6,13,15H2,1-3H3,(H,26,29)
InChIKeyRYYFGFHXRJNXHU-UHFFFAOYSA-N
XLogP3.43
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55995317
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 11932592
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27773305
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2683094
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N-(3-acetamido-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24656097

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate (CID 55994145) is methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2C)c1)c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
The InChIKey is RYYFGFHXRJNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O6S/c1-16-6-4-5-13-27(16)34(30,31)22-14-18(9-12-21(22)32-2)24(29)26-20(15-23(28)33-3)17-7-10-19(25)11-8-17/h7-12,14,16,20H,4-6,13,15H2,1-3H3,(H,26,29).
What are the key properties of methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate?
methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate has a molecular weight of 492.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate is sourced from PubChem (CID 55994145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).