N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide

C19H13N3O3S — CID 3392746

IUPACN-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1)c1cccs1
InChIInChI=1S/C19H13N3O3S/c23-19(16-7-4-10-26-16)21-18-17(12-5-2-1-3-6-12)14-9-8-13(22(24)25)11-15(14)20-18/h1-11,20H,(H,21,23)
InChIKeyVMUOLHCCODAQIH-UHFFFAOYSA-N
MW363.40 g/mol
LogP5.06
Rot. Bonds4

About N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide

N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide (PubChem CID 3392746) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide
PubChem CID3392746
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC NameN-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1)c1cccs1
InChIInChI=1S/C19H13N3O3S/c23-19(16-7-4-10-26-16)21-18-17(12-5-2-1-3-6-12)14-9-8-13(22(24)25)11-15(14)20-18/h1-11,20H,(H,21,23)
InChIKeyVMUOLHCCODAQIH-UHFFFAOYSA-N
XLogP5.06
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.40
LogP ≤ 55.06
H-Bond Donors ≤ 52
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-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide (CID 3392746) is N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide is O=C(Nc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1)c1cccs1.
What is the InChIKey of N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide?
The InChIKey is VMUOLHCCODAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-19(16-7-4-10-26-16)21-18-17(12-5-2-1-3-6-12)14-9-8-13(22(24)25)11-15(14)20-18/h1-11,20H,(H,21,23).
What are the key properties of N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide?
N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-3-phenyl-1H-indol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3392746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).