N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide

C16H20N2O2S — CID 131939818

IUPACN-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(C)CN(Cc1ccsc1)C(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C16H20N2O2S/c1-13(2)9-18(10-14-5-8-21-12-14)16(20)11-17-6-3-15(19)4-7-17/h3-8,12-13H,9-11H2,1-2H3
InChIKeyAHPOGPNOLMLZCD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds6

About N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide

N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 131939818) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID131939818
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(C)CN(Cc1ccsc1)C(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C16H20N2O2S/c1-13(2)9-18(10-14-5-8-21-12-14)16(20)11-17-6-3-15(19)4-7-17/h3-8,12-13H,9-11H2,1-2H3
InChIKeyAHPOGPNOLMLZCD-UHFFFAOYSA-N
XLogP2.59
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide (CID 131939818) is N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide is CC(C)CN(Cc1ccsc1)C(=O)Cn1ccc(=O)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is AHPOGPNOLMLZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(2)9-18(10-14-5-8-21-12-14)16(20)11-17-6-3-15(19)4-7-17/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide?
N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-oxo-1-pyridinyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 131939818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).