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

C22H23N3OS — CID 68841427

IUPAC2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccccc2SCc2ccnc(N)c2)c1
InChIInChI=1S/C22H23N3OS/c1-15(2)17-6-5-7-18(13-17)25-22(26)19-8-3-4-9-20(19)27-14-16-10-11-24-21(23)12-16/h3-13,15H,14H2,1-2H3,(H2,23,24)(H,25,26)
InChIKeySEPCOPAGNAKRNZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.33
Rot. Bonds6

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

2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 68841427) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
PubChem CID68841427
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccccc2SCc2ccnc(N)c2)c1
InChIInChI=1S/C22H23N3OS/c1-15(2)17-6-5-7-18(13-17)25-22(26)19-8-3-4-9-20(19)27-14-16-10-11-24-21(23)12-16/h3-13,15H,14H2,1-2H3,(H2,23,24)(H,25,26)
InChIKeySEPCOPAGNAKRNZ-UHFFFAOYSA-N
XLogP5.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide (CID 68841427) is 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccccc2SCc2ccnc(N)c2)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is SEPCOPAGNAKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15(2)17-6-5-7-18(13-17)25-22(26)19-8-3-4-9-20(19)27-14-16-10-11-24-21(23)12-16/h3-13,15H,14H2,1-2H3,(H2,23,24)(H,25,26).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide?
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 377.51 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 68841427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).