4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide

C17H29NO4S — CID 99839747

IUPAC4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCOC(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO4S/c1-12(2)15-11-17(14(5)10-16(15)21-6)23(19,20)18-8-7-9-22-13(3)4/h10-13,18H,7-9H2,1-6H3
InChIKeySXTHIPUPLNYZLC-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.22
Rot. Bonds9

About 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide

4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide (PubChem CID 99839747) has the molecular formula C17H29NO4S and a molecular weight of 343.49 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
PubChem CID99839747
Molecular FormulaC17H29NO4S
Molecular Weight343.49 g/mol
Exact Mass343.18
IUPAC Name4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCCOC(C)C)cc1C(C)C
InChIInChI=1S/C17H29NO4S/c1-12(2)15-11-17(14(5)10-16(15)21-6)23(19,20)18-8-7-9-22-13(3)4/h10-13,18H,7-9H2,1-6H3
InChIKeySXTHIPUPLNYZLC-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.22
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-2-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 99839771
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 100557539
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271
N-[2-(4-tert-butylphenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100561505
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535559
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 110757792

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide (CID 99839747) is 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCCOC(C)C)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
The InChIKey is SXTHIPUPLNYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4S/c1-12(2)15-11-17(14(5)10-16(15)21-6)23(19,20)18-8-7-9-22-13(3)4/h10-13,18H,7-9H2,1-6H3.
What are the key properties of 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide?
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide has a molecular weight of 343.49 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 99839747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).