N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 39845386

IUPACN-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC
InChIInChI=1S/C15H25NO3S/c1-7-12(5)16-20(17,18)15-9-13(10(2)3)11(4)8-14(15)19-6/h8-10,12,16H,7H2,1-6H3/t12-/m1/s1
InChIKeyMKDIOYNHTKWBGY-GFCCVEGCSA-N
MW299.44 g/mol
LogP3.20
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 39845386) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID39845386
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC
InChIInChI=1S/C15H25NO3S/c1-7-12(5)16-20(17,18)15-9-13(10(2)3)11(4)8-14(15)19-6/h8-10,12,16H,7H2,1-6H3/t12-/m1/s1
InChIKeyMKDIOYNHTKWBGY-GFCCVEGCSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride
CID 50876030
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
CID 42065813
2-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylbenzenesulfonamide
CID 3132631
4-methoxy-2-methyl-N-[1-(2-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 133202228
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1085521
N-[4-(butan-2-ylamino)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 112980539
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-[(2R)-butan-2-yl]-5-chloro-4-methyl-2-pentoxybenzenesulfonamide
CID 42065856

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (CID 39845386) is N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is MKDIOYNHTKWBGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-7-12(5)16-20(17,18)15-9-13(10(2)3)11(4)8-14(15)19-6/h8-10,12,16H,7H2,1-6H3/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 39845386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).