N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

C20H32N2O4S — CID 133231105

IUPACN-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
SMILESCCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H32N2O4S/c1-4-19(20(23)21-16-10-8-6-5-7-9-11-16)26-18-14-12-17(13-15-18)22(2)27(3,24)25/h12-16,19H,4-11H2,1-3H3,(H,21,23)
InChIKeyYZMXQDBXSCIFGQ-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.47
Rot. Bonds7

About N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide

N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (PubChem CID 133231105) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
PubChem CID133231105
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
SMILESCCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCCCC1
InChIInChI=1S/C20H32N2O4S/c1-4-19(20(23)21-16-10-8-6-5-7-9-11-16)26-18-14-12-17(13-15-18)22(2)27(3,24)25/h12-16,19H,4-11H2,1-3H3,(H,21,23)
InChIKeyYZMXQDBXSCIFGQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)butanamide
CID 100600808
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-butyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210421
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoic acid
CID 95795032
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 100544397
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 100544387
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-prop-2-enylbutanamide
CID 133167568
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The IUPAC name of N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide (CID 133231105) is N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide.
What is the SMILES notation for N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The canonical SMILES for N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is CCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
The InChIKey is YZMXQDBXSCIFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-4-19(20(23)21-16-10-8-6-5-7-9-11-16)26-18-14-12-17(13-15-18)22(2)27(3,24)25/h12-16,19H,4-11H2,1-3H3,(H,21,23).
What are the key properties of N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide?
N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide has a molecular weight of 396.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide is sourced from PubChem (CID 133231105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).