4-morpholin-4-ylsulfonyl-N-nonylbenzamide

C20H32N2O4S — CID 46550002

IUPAC4-morpholin-4-ylsulfonyl-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H32N2O4S/c1-2-3-4-5-6-7-8-13-21-20(23)18-9-11-19(12-10-18)27(24,25)22-14-16-26-17-15-22/h9-12H,2-8,13-17H2,1H3,(H,21,23)
InChIKeyZUSZBCYKPUPLLT-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.19
Rot. Bonds11

About 4-morpholin-4-ylsulfonyl-N-nonylbenzamide

4-morpholin-4-ylsulfonyl-N-nonylbenzamide (PubChem CID 46550002) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-nonylbenzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-nonylbenzamide
PubChem CID46550002
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Name4-morpholin-4-ylsulfonyl-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H32N2O4S/c1-2-3-4-5-6-7-8-13-21-20(23)18-9-11-19(12-10-18)27(24,25)22-14-16-26-17-15-22/h9-12H,2-8,13-17H2,1H3,(H,21,23)
InChIKeyZUSZBCYKPUPLLT-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pentylbenzamide
CID 43924590
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-nonylbenzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-nonylbenzamide (CID 46550002) is 4-morpholin-4-ylsulfonyl-N-nonylbenzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-nonylbenzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-nonylbenzamide is CCCCCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-nonylbenzamide?
The InChIKey is ZUSZBCYKPUPLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-2-3-4-5-6-7-8-13-21-20(23)18-9-11-19(12-10-18)27(24,25)22-14-16-26-17-15-22/h9-12H,2-8,13-17H2,1H3,(H,21,23).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-nonylbenzamide?
4-morpholin-4-ylsulfonyl-N-nonylbenzamide has a molecular weight of 396.55 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-nonylbenzamide is sourced from PubChem (CID 46550002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).