4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C16H26N2O4S — CID 2294618

IUPAC4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O4S/c1-13-12-16(14(2)11-15(13)21-3)23(19,20)17-5-4-6-18-7-9-22-10-8-18/h11-12,17H,4-10H2,1-3H3
InChIKeyZGVAYQIMEPQSOP-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.31
Rot. Bonds7

About 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 2294618) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID2294618
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1C
InChIInChI=1S/C16H26N2O4S/c1-13-12-16(14(2)11-15(13)21-3)23(19,20)17-5-4-6-18-7-9-22-10-8-18/h11-12,17H,4-10H2,1-3H3
InChIKeyZGVAYQIMEPQSOP-UHFFFAOYSA-N
XLogP1.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.31
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

4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
4-ethoxy-2,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 991860
1-[1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627888
[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
2,5-dimethyl-4-propoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 2147485
N-[2-(4-morpholinyl)ethyl]-4-propoxy-1-naphthalenesulfonamide
CID 2239380
4-methoxy-N-(2-morpholinoethyl)naphthalene-1-sulfonamide
CID 2295169

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 2294618) is 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is ZGVAYQIMEPQSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-12-16(14(2)11-15(13)21-3)23(19,20)17-5-4-6-18-7-9-22-10-8-18/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2294618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).