2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C14H17N3O2S2 — CID 135413052

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NCc2cccs2)n1
InChIInChI=1S/C14H17N3O2S2/c1-2-4-10-7-12(18)17-14(16-10)21-9-13(19)15-8-11-5-3-6-20-11/h3,5-7H,2,4,8-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyNJWAWNPLWFBBNT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.19
Rot. Bonds7

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 135413052) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID135413052
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NCc2cccs2)n1
InChIInChI=1S/C14H17N3O2S2/c1-2-4-10-7-12(18)17-14(16-10)21-9-13(19)15-8-11-5-3-6-20-11/h3,5-7H,2,4,8-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyNJWAWNPLWFBBNT-UHFFFAOYSA-N
XLogP2.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 135413052) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)NCc2cccs2)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NJWAWNPLWFBBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-4-10-7-12(18)17-14(16-10)21-9-13(19)15-8-11-5-3-6-20-11/h3,5-7H,2,4,8-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 135413052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).