N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide

C14H21NO4S — CID 47388317

IUPACN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
SMILESCOc1ccccc1C1(CNS(C)(=O)=O)CCOCC1
InChIInChI=1S/C14H21NO4S/c1-18-13-6-4-3-5-12(13)14(7-9-19-10-8-14)11-15-20(2,16)17/h3-6,15H,7-11H2,1-2H3
InChIKeyMTIOBZXUYNGEKA-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.29
Rot. Bonds5

About N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide

N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide (PubChem CID 47388317) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
PubChem CID47388317
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
SMILESCOc1ccccc1C1(CNS(C)(=O)=O)CCOCC1
InChIInChI=1S/C14H21NO4S/c1-18-13-6-4-3-5-12(13)14(7-9-19-10-8-14)11-15-20(2,16)17/h3-6,15H,7-11H2,1-2H3
InChIKeyMTIOBZXUYNGEKA-UHFFFAOYSA-N
XLogP1.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
CID 27450995
4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 167840472
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide (CID 47388317) is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide is COc1ccccc1C1(CNS(C)(=O)=O)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide?
The InChIKey is MTIOBZXUYNGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-13-6-4-3-5-12(13)14(7-9-19-10-8-14)11-15-20(2,16)17/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide?
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 47388317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).