[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C20H28N2O7S — CID 3992720

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N2O7S/c1-14(19(23)21-16-5-3-4-6-16)29-20(24)15-7-8-17(27-2)18(13-15)30(25,26)22-9-11-28-12-10-22/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,21,23)
InChIKeyBJBRWWUANRGQHW-UHFFFAOYSA-N
MW440.52 g/mol
LogP1.32
Rot. Bonds7

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 3992720) has the molecular formula C20H28N2O7S and a molecular weight of 440.52 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID3992720
Molecular FormulaC20H28N2O7S
Molecular Weight440.52 g/mol
Exact Mass440.16
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N2O7S/c1-14(19(23)21-16-5-3-4-6-16)29-20(24)15-7-8-17(27-2)18(13-15)30(25,26)22-9-11-28-12-10-22/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,21,23)
InChIKeyBJBRWWUANRGQHW-UHFFFAOYSA-N
XLogP1.32
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 3992720) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is COc1ccc(C(=O)OC(C)C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is BJBRWWUANRGQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O7S/c1-14(19(23)21-16-5-3-4-6-16)29-20(24)15-7-8-17(27-2)18(13-15)30(25,26)22-9-11-28-12-10-22/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,21,23).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 440.52 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 3992720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).