2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide

C16H19N3OS — CID 43301596

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSc2ccc(N)nc2)cc1
InChIInChI=1S/C16H19N3OS/c1-2-3-12-4-6-13(7-5-12)19-16(20)11-21-14-8-9-15(17)18-10-14/h4-10H,2-3,11H2,1H3,(H2,17,18)(H,19,20)
InChIKeyPGXBPXBMFCDHCM-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.35
Rot. Bonds6

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide (PubChem CID 43301596) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
PubChem CID43301596
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSc2ccc(N)nc2)cc1
InChIInChI=1S/C16H19N3OS/c1-2-3-12-4-6-13(7-5-12)19-16(20)11-21-14-8-9-15(17)18-10-14/h4-10H,2-3,11H2,1H3,(H2,17,18)(H,19,20)
InChIKeyPGXBPXBMFCDHCM-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43249738
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
CID 106679325
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43301917
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 43302053
2-[(6-amino-3-pyridinyl)sulfanyl]acetamide
CID 43302194
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 43302066

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide (CID 43301596) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CSc2ccc(N)nc2)cc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide?
The InChIKey is PGXBPXBMFCDHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-3-12-4-6-13(7-5-12)19-16(20)11-21-14-8-9-15(17)18-10-14/h4-10H,2-3,11H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide has a molecular weight of 301.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 43301596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).