2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide

C24H25N3O2S — CID 23151002

IUPAC2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(=O)Nc1cc(CSc2ccccc2C(=O)Nc2cccc(C(C)C)c2)ccn1
InChIInChI=1S/C24H25N3O2S/c1-16(2)19-7-6-8-20(14-19)27-24(29)21-9-4-5-10-22(21)30-15-18-11-12-25-23(13-18)26-17(3)28/h4-14,16H,15H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyKIUUPPSGHCAQEA-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.71
Rot. Bonds7

About 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide

2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 23151002) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
PubChem CID23151002
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(=O)Nc1cc(CSc2ccccc2C(=O)Nc2cccc(C(C)C)c2)ccn1
InChIInChI=1S/C24H25N3O2S/c1-16(2)19-7-6-8-20(14-19)27-24(29)21-9-4-5-10-22(21)30-15-18-11-12-25-23(13-18)26-17(3)28/h4-14,16H,15H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyKIUUPPSGHCAQEA-UHFFFAOYSA-N
XLogP5.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 68841427
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 23150979
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)benzamide
CID 11428473
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(4-hydroxy-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11166118
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
N-(3-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 112763239
N-[4-[[3-[(phenylcarbamoylamino)carbamoyl]-2-pyridinyl]sulfanylmethyl]-2-pyridinyl]acetamide
CID 59152531
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10090622
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
N-(3-acetamidophenyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24513660

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide (CID 23151002) is 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide is CC(=O)Nc1cc(CSc2ccccc2C(=O)Nc2cccc(C(C)C)c2)ccn1.
What is the InChIKey of 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is KIUUPPSGHCAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-16(2)19-7-6-8-20(14-19)27-24(29)21-9-4-5-10-22(21)30-15-18-11-12-25-23(13-18)26-17(3)28/h4-14,16H,15H2,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 419.55 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 23151002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).