5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide

C16H27NO4S — CID 110757792

IUPAC5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H27NO4S/c1-12-10-14(21-6)13(16(2,3)4)11-15(12)22(18,19)17-8-7-9-20-5/h10-11,17H,7-9H2,1-6H3
InChIKeyYYUYDMDACPHEPC-UHFFFAOYSA-N
MW329.46 g/mol
LogP2.62
Rot. Bonds7

About 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide

5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide (PubChem CID 110757792) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
PubChem CID110757792
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC Name5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H27NO4S/c1-12-10-14(21-6)13(16(2,3)4)11-15(12)22(18,19)17-8-7-9-20-5/h10-11,17H,7-9H2,1-6H3
InChIKeyYYUYDMDACPHEPC-UHFFFAOYSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 52.62
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

4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110757529
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide (CID 110757792) is 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide is COCCCNS(=O)(=O)c1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is YYUYDMDACPHEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-12-10-14(21-6)13(16(2,3)4)11-15(12)22(18,19)17-8-7-9-20-5/h10-11,17H,7-9H2,1-6H3.
What are the key properties of 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide?
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 329.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 110757792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).