2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide

C18H22N2O2S — CID 123858091

IUPAC2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
SMILESCSC(C)(CCc1ccc(OCc2ccccn2)cc1)C(N)=O
InChIInChI=1S/C18H22N2O2S/c1-18(23-2,17(19)21)11-10-14-6-8-16(9-7-14)22-13-15-5-3-4-12-20-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,21)
InChIKeyBWSXYSHVKWUDMF-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.20
Rot. Bonds8

About 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide

2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide (PubChem CID 123858091) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
PubChem CID123858091
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
SMILESCSC(C)(CCc1ccc(OCc2ccccn2)cc1)C(N)=O
InChIInChI=1S/C18H22N2O2S/c1-18(23-2,17(19)21)11-10-14-6-8-16(9-7-14)22-13-15-5-3-4-12-20-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,21)
InChIKeyBWSXYSHVKWUDMF-UHFFFAOYSA-N
XLogP3.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
1-tert-butyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111047656
ethyl 2,2-dimethyl-6-[4-[5-(pyridin-2-ylmethoxy)pentoxy]phenoxy]hexanoate
CID 14327286
[4-[(2-methylpropan-2-yl)oxy]phenyl]-bis[4-(pyridin-2-ylmethoxy)phenyl]sulfanium
CID 22290221
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
(4-methoxyphenyl)methyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 98716837
6-[4-[2,2-dimethyl-3-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]pyridazin-3-amine
CID 68718460
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
The IUPAC name of 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide (CID 123858091) is 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide is CSC(C)(CCc1ccc(OCc2ccccn2)cc1)C(N)=O.
What is the InChIKey of 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
The InChIKey is BWSXYSHVKWUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-18(23-2,17(19)21)11-10-14-6-8-16(9-7-14)22-13-15-5-3-4-12-20-15/h3-9,12H,10-11,13H2,1-2H3,(H2,19,21).
What are the key properties of 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide?
2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide has a molecular weight of 330.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 123858091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).