2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide

C18H30N2O4S — CID 3132631

IUPAC2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H30N2O4S/c1-14(2)16-13-18(17(23-4)12-15(16)3)25(21,22)19-6-5-7-20-8-10-24-11-9-20/h12-14,19H,5-11H2,1-4H3
InChIKeyKRFIBORYMRUCLM-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.13
Rot. Bonds8

About 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 3132631) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID3132631
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H30N2O4S/c1-14(2)16-13-18(17(23-4)12-15(16)3)25(21,22)19-6-5-7-20-8-10-24-11-9-20/h12-14,19H,5-11H2,1-4H3
InChIKeyKRFIBORYMRUCLM-UHFFFAOYSA-N
XLogP2.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.13
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-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide (CID 3132631) is 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is KRFIBORYMRUCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-14(2)16-13-18(17(23-4)12-15(16)3)25(21,22)19-6-5-7-20-8-10-24-11-9-20/h12-14,19H,5-11H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3132631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).