N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide

C14H14N2O3S — CID 1245285

IUPACN-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C14H14N2O3S/c1-2-4-13-7-10(9-20-13)14(17)15-11-5-3-6-12(8-11)16(18)19/h3,5-9H,2,4H2,1H3,(H,15,17)
InChIKeyDSHYXOLOHWUCCY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.86
Rot. Bonds5

About N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide

N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide (PubChem CID 1245285) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
PubChem CID1245285
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C14H14N2O3S/c1-2-4-13-7-10(9-20-13)14(17)15-11-5-3-6-12(8-11)16(18)19/h3,5-9H,2,4H2,1H3,(H,15,17)
InChIKeyDSHYXOLOHWUCCY-UHFFFAOYSA-N
XLogP3.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide (CID 1245285) is N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide is CCCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1.
What is the InChIKey of N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide?
The InChIKey is DSHYXOLOHWUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-4-13-7-10(9-20-13)14(17)15-11-5-3-6-12(8-11)16(18)19/h3,5-9H,2,4H2,1H3,(H,15,17).
What are the key properties of N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide?
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 1245285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).