2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide

C16H14N2O2S — CID 174719025

IUPAC2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide
SMILESNC(=O)CC1=C(Nc2ccc3ccccc3c2)SCC1=O
InChIInChI=1S/C16H14N2O2S/c17-15(20)8-13-14(19)9-21-16(13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,18H,8-9H2,(H2,17,20)
InChIKeyQYOHTXYTSNHUNP-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide

2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide (PubChem CID 174719025) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide
PubChem CID174719025
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide
SMILESNC(=O)CC1=C(Nc2ccc3ccccc3c2)SCC1=O
InChIInChI=1S/C16H14N2O2S/c17-15(20)8-13-14(19)9-21-16(13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,18H,8-9H2,(H2,17,20)
InChIKeyQYOHTXYTSNHUNP-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide?
The IUPAC name of 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide (CID 174719025) is 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide.
What is the SMILES notation for 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide?
The canonical SMILES for 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide is NC(=O)CC1=C(Nc2ccc3ccccc3c2)SCC1=O.
What is the InChIKey of 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide?
The InChIKey is QYOHTXYTSNHUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-15(20)8-13-14(19)9-21-16(13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,18H,8-9H2,(H2,17,20).
What are the key properties of 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide?
2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-ylamino)-4-oxothiophen-3-yl]acetamide is sourced from PubChem (CID 174719025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).