2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

C24H26N2O2S — CID 55967852

IUPAC2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(C)Sc1ccccc1C(=O)NC(C)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(2)29-23-9-5-4-8-22(23)24(27)26-18(3)20-10-12-21(13-11-20)28-16-19-7-6-14-25-15-19/h4-15,17-18H,16H2,1-3H3,(H,26,27)
InChIKeyFSOGUKPHQLHIBK-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.65
Rot. Bonds8

About 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide

2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (PubChem CID 55967852) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
PubChem CID55967852
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
SMILESCC(C)Sc1ccccc1C(=O)NC(C)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(2)29-23-9-5-4-8-22(23)24(27)26-18(3)20-10-12-21(13-11-20)28-16-19-7-6-14-25-15-19/h4-15,17-18H,16H2,1-3H3,(H,26,27)
InChIKeyFSOGUKPHQLHIBK-UHFFFAOYSA-N
XLogP5.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide
CID 55706047
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide (CID 55967852) is 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is CC(C)Sc1ccccc1C(=O)NC(C)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
The InChIKey is FSOGUKPHQLHIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17(2)29-23-9-5-4-8-22(23)24(27)26-18(3)20-10-12-21(13-11-20)28-16-19-7-6-14-25-15-19/h4-15,17-18H,16H2,1-3H3,(H,26,27).
What are the key properties of 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide?
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide has a molecular weight of 406.55 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 55967852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).