2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide

C15H25NO4S — CID 65015424

IUPAC2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCOc1cccc(COCC(CS(N)(=O)=O)C(C)(C)C)c1
InChIInChI=1S/C15H25NO4S/c1-15(2,3)13(11-21(16,17)18)10-20-9-12-6-5-7-14(8-12)19-4/h5-8,13H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyVLRZEVBYKBKLGE-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.16
Rot. Bonds7

About 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide

2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 65015424) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID65015424
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCOc1cccc(COCC(CS(N)(=O)=O)C(C)(C)C)c1
InChIInChI=1S/C15H25NO4S/c1-15(2,3)13(11-21(16,17)18)10-20-9-12-6-5-7-14(8-12)19-4/h5-8,13H,9-11H2,1-4H3,(H2,16,17,18)
InChIKeyVLRZEVBYKBKLGE-UHFFFAOYSA-N
XLogP2.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
1-[[2-(bromomethyl)-3-methylbutoxy]methyl]-3-methoxybenzene
CID 65012343
3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
1-(2-aminophenyl)-2-[(3-methoxyphenyl)methoxy]ethanol
CID 62268099
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-N-methylpropan-2-amine
CID 58202110
6-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 79240022
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
6-[(3-methoxyphenyl)methoxy]-2,4,4-trimethylhexan-3-ol;8-(3-methoxyphenyl)-2,4,4-trimethyloctan-3-ol
CID 158305434

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide (CID 65015424) is 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide is COc1cccc(COCC(CS(N)(=O)=O)C(C)(C)C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is VLRZEVBYKBKLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-15(2,3)13(11-21(16,17)18)10-20-9-12-6-5-7-14(8-12)19-4/h5-8,13H,9-11H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide?
2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxymethyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 65015424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).