N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide

C20H31N3O4S — CID 18083658

IUPACN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C20H31N3O4S/c1-2-3-4-7-20(24)21-18-16-17(8-9-19(18)22-10-5-6-11-22)28(25,26)23-12-14-27-15-13-23/h8-9,16H,2-7,10-15H2,1H3,(H,21,24)
InChIKeyDKKCIDRYUDVSAS-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.83
Rot. Bonds8

About N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide

N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide (PubChem CID 18083658) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide
PubChem CID18083658
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C20H31N3O4S/c1-2-3-4-7-20(24)21-18-16-17(8-9-19(18)22-10-5-6-11-22)28(25,26)23-12-14-27-15-13-23/h8-9,16H,2-7,10-15H2,1H3,(H,21,24)
InChIKeyDKKCIDRYUDVSAS-UHFFFAOYSA-N
XLogP2.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide (CID 18083658) is N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide is CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide?
The InChIKey is DKKCIDRYUDVSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-2-3-4-7-20(24)21-18-16-17(8-9-19(18)22-10-5-6-11-22)28(25,26)23-12-14-27-15-13-23/h8-9,16H,2-7,10-15H2,1H3,(H,21,24).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide?
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide has a molecular weight of 409.55 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)hexanamide is sourced from PubChem (CID 18083658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).