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

C20H31N3O5S — CID 26289530

IUPACN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C20H31N3O5S/c1-2-3-4-5-20(24)21-18-16-17(29(25,26)23-10-14-28-15-11-23)6-7-19(18)22-8-12-27-13-9-22/h6-7,16H,2-5,8-15H2,1H3,(H,21,24)
InChIKeySUIMKPDCRNCJSB-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.06
Rot. Bonds8

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

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide (PubChem CID 26289530) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
PubChem CID26289530
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C20H31N3O5S/c1-2-3-4-5-20(24)21-18-16-17(29(25,26)23-10-14-28-15-11-23)6-7-19(18)22-8-12-27-13-9-22/h6-7,16H,2-5,8-15H2,1H3,(H,21,24)
InChIKeySUIMKPDCRNCJSB-UHFFFAOYSA-N
XLogP2.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 31494184
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
CID 4849659
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 41214377
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide?
The IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide (CID 26289530) is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide is CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide?
The InChIKey is SUIMKPDCRNCJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-2-3-4-5-20(24)21-18-16-17(29(25,26)23-10-14-28-15-11-23)6-7-19(18)22-8-12-27-13-9-22/h6-7,16H,2-5,8-15H2,1H3,(H,21,24).
What are the key properties of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide?
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide has a molecular weight of 425.55 g/mol, XLogP of 2.06, 8 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)hexanamide is sourced from PubChem (CID 26289530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).