[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate

C17H21NO5S — CID 18193790

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
SMILESCCN(C(=O)COC(=O)c1cccc(S(C)(=O)=O)c1)C1=CCCC1
InChIInChI=1S/C17H21NO5S/c1-3-18(14-8-4-5-9-14)16(19)12-23-17(20)13-7-6-10-15(11-13)24(2,21)22/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyPEHNGDFNDWNGNI-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.16
Rot. Bonds6

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate (PubChem CID 18193790) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
PubChem CID18193790
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
SMILESCCN(C(=O)COC(=O)c1cccc(S(C)(=O)=O)c1)C1=CCCC1
InChIInChI=1S/C17H21NO5S/c1-3-18(14-8-4-5-9-14)16(19)12-23-17(20)13-7-6-10-15(11-13)24(2,21)22/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyPEHNGDFNDWNGNI-UHFFFAOYSA-N
XLogP2.16
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate 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

[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18193721
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 18138750
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 18195679
[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 30974212
[2-(ethylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528487
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545199
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16560413
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 18273323
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate (CID 18193790) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate is CCN(C(=O)COC(=O)c1cccc(S(C)(=O)=O)c1)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate?
The InChIKey is PEHNGDFNDWNGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-3-18(14-8-4-5-9-14)16(19)12-23-17(20)13-7-6-10-15(11-13)24(2,21)22/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate has a molecular weight of 351.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 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] 3-methylsulfonylbenzoate is sourced from PubChem (CID 18193790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).