5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide

C15H14N2O3S — CID 16545699

IUPAC5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H14N2O3S/c18-15(13-8-9-14(21-13)17(19)20)16-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,16,18)
InChIKeyFTGNHEHWJWPIIN-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.79
Rot. Bonds3

About 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide

5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide (PubChem CID 16545699) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
PubChem CID16545699
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H14N2O3S/c18-15(13-8-9-14(21-13)17(19)20)16-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,16,18)
InChIKeyFTGNHEHWJWPIIN-UHFFFAOYSA-N
XLogP3.79
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
CID 112770102
4-(methylamino)-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 24658307
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 61406295
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoate
CID 7218047
ethyl 3-nitro-5-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)benzoate
CID 16959263
(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 895294
4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide (CID 16545699) is 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide is O=C(Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The InChIKey is FTGNHEHWJWPIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-15(13-8-9-14(21-13)17(19)20)16-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-9H,1-2,4,6H2,(H,16,18).
What are the key properties of 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 16545699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).