[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

C18H26N2O6S — CID 55392531

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)C(=O)N(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O6S/c1-12(17(21)20(2)3)26-18(22)13-9-10-15(25-4)16(11-13)27(23,24)19-14-7-5-6-8-14/h9-12,14,19H,5-8H2,1-4H3
InChIKeyCHNASSRKLRAOSQ-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.55
Rot. Bonds7

About [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate (PubChem CID 55392531) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
PubChem CID55392531
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)C(=O)N(C)C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O6S/c1-12(17(21)20(2)3)26-18(22)13-9-10-15(25-4)16(11-13)27(23,24)19-14-7-5-6-8-14/h9-12,14,19H,5-8H2,1-4H3
InChIKeyCHNASSRKLRAOSQ-UHFFFAOYSA-N
XLogP1.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991178
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55405064
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55319401
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722389
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 51672025
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563446
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 27045228
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55475264
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate (CID 55392531) is [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OC(C)C(=O)N(C)C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The InChIKey is CHNASSRKLRAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-12(17(21)20(2)3)26-18(22)13-9-10-15(25-4)16(11-13)27(23,24)19-14-7-5-6-8-14/h9-12,14,19H,5-8H2,1-4H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate has a molecular weight of 398.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 55392531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).