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

C17H14N2O2S — CID 176531103

IUPAC2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide
SMILESNC(=O)CC1=C(Nc2ccc3ccccc3c2)SCC1=C=O
InChIInChI=1S/C17H14N2O2S/c18-16(21)8-15-13(9-20)10-22-17(15)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,19H,8,10H2,(H2,18,21)
InChIKeyJUXRUDPUHYREBT-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.84
Rot. Bonds4

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

2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide (PubChem CID 176531103) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide
PubChem CID176531103
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide
SMILESNC(=O)CC1=C(Nc2ccc3ccccc3c2)SCC1=C=O
InChIInChI=1S/C17H14N2O2S/c18-16(21)8-15-13(9-20)10-22-17(15)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,19H,8,10H2,(H2,18,21)
InChIKeyJUXRUDPUHYREBT-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide?
The IUPAC name of 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide (CID 176531103) is 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide?
The canonical SMILES for 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide is NC(=O)CC1=C(Nc2ccc3ccccc3c2)SCC1=C=O.
What is the InChIKey of 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide?
The InChIKey is JUXRUDPUHYREBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c18-16(21)8-15-13(9-20)10-22-17(15)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-7,19H,8,10H2,(H2,18,21).
What are the key properties of 2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide?
2-[2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophen-3-yl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 2.84, 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-(oxomethylidene)thiophen-3-yl]acetamide is sourced from PubChem (CID 176531103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).