[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide

C15H23NO4S — CID 65002702

IUPAC[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCOc1cc(C)ccc1OCC1(CS(N)(=O)=O)CCCC1
InChIInChI=1S/C15H23NO4S/c1-12-5-6-13(14(9-12)19-2)20-10-15(7-3-4-8-15)11-21(16,17)18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyCDYWYQUWBOSIQP-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.23
Rot. Bonds6

About [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide

[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 65002702) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID65002702
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCOc1cc(C)ccc1OCC1(CS(N)(=O)=O)CCCC1
InChIInChI=1S/C15H23NO4S/c1-12-5-6-13(14(9-12)19-2)20-10-15(7-3-4-8-15)11-21(16,17)18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyCDYWYQUWBOSIQP-UHFFFAOYSA-N
XLogP2.23
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
1-[[1-(bromomethyl)cyclobutyl]methoxy]-2-methoxy-4-methylbenzene
CID 65008049
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006250
[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65006888
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(2-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002803
[1-[(2,3-dichlorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006606
[1-[(2,3-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65007096
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide (CID 65002702) is [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide is COc1cc(C)ccc1OCC1(CS(N)(=O)=O)CCCC1.
What is the InChIKey of [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is CDYWYQUWBOSIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-12-5-6-13(14(9-12)19-2)20-10-15(7-3-4-8-15)11-21(16,17)18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-4-methylphenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65002702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).