2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide

C13H15N3OS — CID 71980035

IUPAC2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide
SMILESO=C(CSc1ccncc1)NCCn1cccc1
InChIInChI=1S/C13H15N3OS/c17-13(11-18-12-3-5-14-6-4-12)15-7-10-16-8-1-2-9-16/h1-6,8-9H,7,10-11H2,(H,15,17)
InChIKeySRAGDOHNYXPTEV-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.79
Rot. Bonds6

About 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide

2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 71980035) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID71980035
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide
SMILESO=C(CSc1ccncc1)NCCn1cccc1
InChIInChI=1S/C13H15N3OS/c17-13(11-18-12-3-5-14-6-4-12)15-7-10-16-8-1-2-9-16/h1-6,8-9H,7,10-11H2,(H,15,17)
InChIKeySRAGDOHNYXPTEV-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
N-Pyridin-3-ylmethyl-2-thiophen-2-yl-acetamide
CID 669966
(E)-N-(pyridin-3-ylmethyl)-3-(thiophen-2-yl)acrylamide
CID 897964
N-((1E)-2-(2-thienyl)-1-azavinyl)-2-pyridylacetamide, chloride
CID 15703181
3-Phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
Acylglycineboronic acid, 13
CID 9834477
N-(pyridin-3-yl)-2-(thiophen-2-yl)acetamide
CID 650269
3-(phenylthio)-N-(3-pyridinylmethyl)propanamide
CID 756072
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
2-phenylsulfanyl-N-pyridin-4-ylacetamide
CID 808415

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide (CID 71980035) is 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide is O=C(CSc1ccncc1)NCCn1cccc1.
What is the InChIKey of 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is SRAGDOHNYXPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(11-18-12-3-5-14-6-4-12)15-7-10-16-8-1-2-9-16/h1-6,8-9H,7,10-11H2,(H,15,17).
What are the key properties of 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide?
2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylsulfanyl-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 71980035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).