N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide

C14H14N2O3S — CID 2957748

IUPACN-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
SMILESCC(CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3S/c1-10(9-15-14(17)13-3-2-8-20-13)11-4-6-12(7-5-11)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)
InChIKeyFIDBVIGZDMSOQJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide

N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide (PubChem CID 2957748) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
PubChem CID2957748
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
SMILESCC(CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3S/c1-10(9-15-14(17)13-3-2-8-20-13)11-4-6-12(7-5-11)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)
InChIKeyFIDBVIGZDMSOQJ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

3-(4-Isopropylanilino)-1-(2-thienyl)-1-propanone
CID 800191
N-(4-methyl-3-nitrophenyl)-2-thienylcarboxamide
CID 839302
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
5-nitro-N-propyl-1-benzothiophene-2-carboxamide
CID 2765915
4,5-dimethyl-N-(2-methyl-4-nitrophenyl)thiophene-3-carboxamide
CID 2971457
[4-(4-Nitro-benzoyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 787265
N-[2-{3-nitrophenyl}-1-(1-piperidinylcarbonyl)vinyl]-2-thiophenecarboxamide
CID 1115889
4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 844960
6-(4-Nitrophenyl)-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile (4f)
CID 78293720
N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 765272
3-(4-nitrophenyl)-N-(2-thienylmethyl)acrylamide
CID 897305
N-isopropyl-5-nitro-1-benzothiophene-2-carboxamide
CID 1489065

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide (CID 2957748) is N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide is CC(CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
The InChIKey is FIDBVIGZDMSOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10(9-15-14(17)13-3-2-8-20-13)11-4-6-12(7-5-11)16(18)19/h2-8,10H,9H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2957748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).