[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate

C19H26N2O6S — CID 7976970

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)NC1CCCC1
InChIInChI=1S/C19H26N2O6S/c22-18(21-15-6-1-2-7-15)13-27-19(23)14-5-3-9-17(11-14)28(24,25)20-12-16-8-4-10-26-16/h3,5,9,11,15-16,20H,1-2,4,6-8,10,12-13H2,(H,21,22)/t16-/m0/s1
InChIKeyBOYPVPIPITYUHA-INIZCTEOSA-N
MW410.49 g/mol
LogP1.36
Rot. Bonds8

About [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate

[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate (PubChem CID 7976970) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
PubChem CID7976970
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)NC1CCCC1
InChIInChI=1S/C19H26N2O6S/c22-18(21-15-6-1-2-7-15)13-27-19(23)14-5-3-9-17(11-14)28(24,25)20-12-16-8-4-10-26-16/h3,5,9,11,15-16,20H,1-2,4,6-8,10,12-13H2,(H,21,22)/t16-/m0/s1
InChIKeyBOYPVPIPITYUHA-INIZCTEOSA-N
XLogP1.36
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
ethyl 4-[[3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 42910636
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976917
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate (CID 7976970) is [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate is O=C(COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate?
The InChIKey is BOYPVPIPITYUHA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O6S/c22-18(21-15-6-1-2-7-15)13-27-19(23)14-5-3-9-17(11-14)28(24,25)20-12-16-8-4-10-26-16/h3,5,9,11,15-16,20H,1-2,4,6-8,10,12-13H2,(H,21,22)/t16-/m0/s1.
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate has a molecular weight of 410.49 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate is sourced from PubChem (CID 7976970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).