2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide

C22H23N3OS — CID 91625907

IUPAC2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C22H23N3OS/c1-16(2)27-20-8-5-17(6-9-20)12-22(26)25-14-18-7-10-21(24-13-18)19-4-3-11-23-15-19/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,26)
InChIKeyINAXETILRBTBRX-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.50
Rot. Bonds7

About 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide

2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91625907) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
PubChem CID91625907
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1
InChIInChI=1S/C22H23N3OS/c1-16(2)27-20-8-5-17(6-9-20)12-22(26)25-14-18-7-10-21(24-13-18)19-4-3-11-23-15-19/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,26)
InChIKeyINAXETILRBTBRX-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91816099
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
N-[(4-propan-2-ylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784665
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 71797521
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide (CID 91625907) is 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide is CC(C)Sc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is INAXETILRBTBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16(2)27-20-8-5-17(6-9-20)12-22(26)25-14-18-7-10-21(24-13-18)19-4-3-11-23-15-19/h3-11,13,15-16H,12,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide?
2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91625907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).