2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C16H27NO3S — CID 166187507

IUPAC2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H27NO3S/c1-12(2)10-17(11-13(3)4)21(18,19)16-9-14(5)7-8-15(16)20-6/h7-9,12-13H,10-11H2,1-6H3
InChIKeyLRKNTRQFXSENCG-UHFFFAOYSA-N
MW313.46 g/mol
LogP3.31
Rot. Bonds7

About 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 166187507) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID166187507
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H27NO3S/c1-12(2)10-17(11-13(3)4)21(18,19)16-9-14(5)7-8-15(16)20-6/h7-9,12-13H,10-11H2,1-6H3
InChIKeyLRKNTRQFXSENCG-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587371
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
(E)-3-[3-[bis(2-methylpropyl)sulfamoyl]-4-methoxyphenyl]prop-2-enoic acid
CID 9160655
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114276959
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 166187507) is 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is LRKNTRQFXSENCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-12(2)10-17(11-13(3)4)21(18,19)16-9-14(5)7-8-15(16)20-6/h7-9,12-13H,10-11H2,1-6H3.
What are the key properties of 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 313.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 166187507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).