N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide

C20H29N3O5S — CID 3938418

IUPACN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CCCC1
InChIInChI=1S/C20H29N3O5S/c24-20(16-3-1-2-4-16)21-18-15-17(29(25,26)23-9-13-28-14-10-23)5-6-19(18)22-7-11-27-12-8-22/h5-6,15-16H,1-4,7-14H2,(H,21,24)
InChIKeyDVZNUVNURCTGAE-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.67
Rot. Bonds5

About N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide (PubChem CID 3938418) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
PubChem CID3938418
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CCCC1
InChIInChI=1S/C20H29N3O5S/c24-20(16-3-1-2-4-16)21-18-15-17(29(25,26)23-9-13-28-14-10-23)5-6-19(18)22-7-11-27-12-8-22/h5-6,15-16H,1-4,7-14H2,(H,21,24)
InChIKeyDVZNUVNURCTGAE-UHFFFAOYSA-N
XLogP1.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide (CID 3938418) is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CCCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide?
The InChIKey is DVZNUVNURCTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c24-20(16-3-1-2-4-16)21-18-15-17(29(25,26)23-9-13-28-14-10-23)5-6-19(18)22-7-11-27-12-8-22/h5-6,15-16H,1-4,7-14H2,(H,21,24).
What are the key properties of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide?
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 3938418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).