[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate

C19H23ClN2O5S — CID 18195679

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C1=CCCC1
InChIInChI=1S/C19H23ClN2O5S/c1-2-22(15-5-3-4-6-15)18(23)12-27-19(24)13-7-10-16(20)17(11-13)28(25,26)21-14-8-9-14/h5,7,10-11,14,21H,2-4,6,8-9,12H2,1H3
InChIKeyJDYIWHROLJXPKN-UHFFFAOYSA-N
MW426.92 g/mol
LogP2.85
Rot. Bonds8

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate (PubChem CID 18195679) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
PubChem CID18195679
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
SMILESCCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C1=CCCC1
InChIInChI=1S/C19H23ClN2O5S/c1-2-22(15-5-3-4-6-15)18(23)12-27-19(24)13-7-10-16(20)17(11-13)28(25,26)21-14-8-9-14/h5,7,10-11,14,21H,2-4,6,8-9,12H2,1H3
InChIKeyJDYIWHROLJXPKN-UHFFFAOYSA-N
XLogP2.85
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 18138750
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18193790
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672231
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672240
2-(3-methylphenoxy)ethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672225
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 9062209

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate (CID 18195679) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate is CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is JDYIWHROLJXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-2-22(15-5-3-4-6-15)18(23)12-27-19(24)13-7-10-16(20)17(11-13)28(25,26)21-14-8-9-14/h5,7,10-11,14,21H,2-4,6,8-9,12H2,1H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 426.92 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 18195679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).