N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide

C21H33N3O4S — CID 18084204

IUPACN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H33N3O4S/c1-2-3-5-8-21(25)22-19-17-18(29(26,27)24-11-6-4-7-12-24)9-10-20(19)23-13-15-28-16-14-23/h9-10,17H,2-8,11-16H2,1H3,(H,22,25)
InChIKeyOCHCOMHBBYIASU-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.22
Rot. Bonds8

About N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide (PubChem CID 18084204) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
PubChem CID18084204
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC NameN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C21H33N3O4S/c1-2-3-5-8-21(25)22-19-17-18(29(26,27)24-11-6-4-7-12-24)9-10-20(19)23-13-15-28-16-14-23/h9-10,17H,2-8,11-16H2,1H3,(H,22,25)
InChIKeyOCHCOMHBBYIASU-UHFFFAOYSA-N
XLogP3.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 4968881
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
(2E,4E)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 18287293
N-(2,5-difluorophenyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346752
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 98312655
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide?
The IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide (CID 18084204) is N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide is CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide?
The InChIKey is OCHCOMHBBYIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-2-3-5-8-21(25)22-19-17-18(29(26,27)24-11-6-4-7-12-24)9-10-20(19)23-13-15-28-16-14-23/h9-10,17H,2-8,11-16H2,1H3,(H,22,25).
What are the key properties of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide?
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide has a molecular weight of 423.58 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide is sourced from PubChem (CID 18084204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).