N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide

C19H30N2O6S — CID 43007086

IUPACN-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C19H30N2O6S/c1-4-5-6-7-8-20-19(22)16-13-15(14-17(25-2)18(16)26-3)28(23,24)21-9-11-27-12-10-21/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyXTNZIGLRHHCATJ-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.03
Rot. Bonds10

About N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide

N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43007086) has the molecular formula C19H30N2O6S and a molecular weight of 414.52 g/mol. Its IUPAC name is N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43007086
Molecular FormulaC19H30N2O6S
Molecular Weight414.52 g/mol
Exact Mass414.18
IUPAC NameN-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C19H30N2O6S/c1-4-5-6-7-8-20-19(22)16-13-15(14-17(25-2)18(16)26-3)28(23,24)21-9-11-27-12-10-21/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyXTNZIGLRHHCATJ-UHFFFAOYSA-N
XLogP2.03
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 52.03
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-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119404990
N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55676114
N-[2-(N-ethyl-2-methylanilino)ethyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46478502
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
CID 43005968
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide (CID 43007086) is N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide is CCCCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XTNZIGLRHHCATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6S/c1-4-5-6-7-8-20-19(22)16-13-15(14-17(25-2)18(16)26-3)28(23,24)21-9-11-27-12-10-21/h13-14H,4-12H2,1-3H3,(H,20,22).
What are the key properties of N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide?
N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 414.52 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43007086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).