methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate

C18H26N2O5S — CID 48865197

IUPACmethyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
SMILESCOC(=O)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1
InChIInChI=1S/C18H26N2O5S/c1-19(2)26(23,24)16-10-8-14(9-11-16)18(22)20(13-12-17(21)25-3)15-6-4-5-7-15/h8-11,15H,4-7,12-13H2,1-3H3
InChIKeyPMKKHKFHOIXOJL-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.88
Rot. Bonds7

About methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate

methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate (PubChem CID 48865197) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
PubChem CID48865197
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Namemethyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
SMILESCOC(=O)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1
InChIInChI=1S/C18H26N2O5S/c1-19(2)26(23,24)16-10-8-14(9-11-16)18(22)20(13-12-17(21)25-3)15-6-4-5-7-15/h8-11,15H,4-7,12-13H2,1-3H3
InChIKeyPMKKHKFHOIXOJL-UHFFFAOYSA-N
XLogP1.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 26635200
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 4544453
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
cyclohexyl 4-(dimethylsulfamoyl)benzoate
CID 2079292
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate (CID 48865197) is methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate is COC(=O)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1.
What is the InChIKey of methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate?
The InChIKey is PMKKHKFHOIXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-19(2)26(23,24)16-10-8-14(9-11-16)18(22)20(13-12-17(21)25-3)15-6-4-5-7-15/h8-11,15H,4-7,12-13H2,1-3H3.
What are the key properties of methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate?
methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate has a molecular weight of 382.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentyl-[4-(dimethylsulfamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 48865197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).