N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide

C20H31N3O4S — CID 4811479

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCCC2)c1
InChIInChI=1S/C20H31N3O4S/c1-3-23(4-2)28(25,26)17-9-10-19(22-11-13-27-14-12-22)18(15-17)21-20(24)16-7-5-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,21,24)
InChIKeyNZISMIRVQSZEOW-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.68
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide (PubChem CID 4811479) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide
PubChem CID4811479
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCCC2)c1
InChIInChI=1S/C20H31N3O4S/c1-3-23(4-2)28(25,26)17-9-10-19(22-11-13-27-14-12-22)18(15-17)21-20(24)16-7-5-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,21,24)
InChIKeyNZISMIRVQSZEOW-UHFFFAOYSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide (CID 4811479) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide?
The InChIKey is NZISMIRVQSZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-23(4-2)28(25,26)17-9-10-19(22-11-13-27-14-12-22)18(15-17)21-20(24)16-7-5-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 4811479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).