2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide

C16H12N2O2S — CID 176531548

IUPAC2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide
SMILESNC(=O)C1=C(Nc2ccc3ccccc3c2)SCC1=C=O
InChIInChI=1S/C16H12N2O2S/c17-15(20)14-12(8-19)9-21-16(14)18-13-6-5-10-3-1-2-4-11(10)7-13/h1-7,18H,9H2,(H2,17,20)
InChIKeySHQDURLAELEVDX-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide

2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide (PubChem CID 176531548) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide
PubChem CID176531548
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide
SMILESNC(=O)C1=C(Nc2ccc3ccccc3c2)SCC1=C=O
InChIInChI=1S/C16H12N2O2S/c17-15(20)14-12(8-19)9-21-16(14)18-13-6-5-10-3-1-2-4-11(10)7-13/h1-7,18H,9H2,(H2,17,20)
InChIKeySHQDURLAELEVDX-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thionalide
CID 66733
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
N-Cyclopropyl-2-(naphthalen-2-ylcarbamoylmethylsulfanyl)-acetamide
CID 575516
ST032473
CID 588601
3,3'-thiobis[N-(3,4-dimethylphenyl)propanamide]
CID 2165573
4-amino-3-methyl-N-(naphthalen-2-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3797150
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-2-ylacetamide
CID 5032092
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
CID 135414726
N-naphthalen-2-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2358068
2-(6-Methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 135516087
2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 2370325
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide
CID 2876962

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide (CID 176531548) is 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide is NC(=O)C1=C(Nc2ccc3ccccc3c2)SCC1=C=O.
What is the InChIKey of 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide?
The InChIKey is SHQDURLAELEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c17-15(20)14-12(8-19)9-21-16(14)18-13-6-5-10-3-1-2-4-11(10)7-13/h1-7,18H,9H2,(H2,17,20).
What are the key properties of 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide?
2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-4-(oxomethylidene)thiophene-3-carboxamide is sourced from PubChem (CID 176531548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).