2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C15H17N3OS2 — CID 43300968

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CSc1ccc(N)cn1
InChIInChI=1S/C15H17N3OS2/c1-2-7-18(10-13-4-3-8-20-13)15(19)11-21-14-6-5-12(16)9-17-14/h2-6,8-9H,1,7,10-11,16H2
InChIKeyHBNFTQYUUFJEHM-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.03
Rot. Bonds7

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 43300968) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID43300968
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CSc1ccc(N)cn1
InChIInChI=1S/C15H17N3OS2/c1-2-7-18(10-13-4-3-8-20-13)15(19)11-21-14-6-5-12(16)9-17-14/h2-6,8-9H,1,7,10-11,16H2
InChIKeyHBNFTQYUUFJEHM-UHFFFAOYSA-N
XLogP3.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 43301312
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
2-(3-aminophenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 61035595
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 18193542
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8522209
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8860506
7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 84595221
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 43300968) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CSc1ccc(N)cn1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HBNFTQYUUFJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-2-7-18(10-13-4-3-8-20-13)15(19)11-21-14-6-5-12(16)9-17-14/h2-6,8-9H,1,7,10-11,16H2.
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 319.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 43300968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).