N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide

C18H16N4O4S — CID 30771170

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C18H16N4O4S/c23-18(16-10-12-9-14(22(24)25)2-3-15(12)27-16)20-13-1-4-17(19-11-13)21-5-7-26-8-6-21/h1-4,9-11H,5-8H2,(H,20,23)
InChIKeyYNWHEYGRNFOYFB-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.29
Rot. Bonds4

About N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide

N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide (PubChem CID 30771170) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
PubChem CID30771170
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C18H16N4O4S/c23-18(16-10-12-9-14(22(24)25)2-3-15(12)27-16)20-13-1-4-17(19-11-13)21-5-7-26-8-6-21/h1-4,9-11H,5-8H2,(H,20,23)
InChIKeyYNWHEYGRNFOYFB-UHFFFAOYSA-N
XLogP3.29
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-benzothiophene-2-carboxamide
CID 26126209
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6143229
N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 124551746
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 42150971
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-(2-methyl-2-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 39910313
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 51319265
N-(5-methyl-2-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 17432330
N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 39910206
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide (CID 30771170) is N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide?
The InChIKey is YNWHEYGRNFOYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-18(16-10-12-9-14(22(24)25)2-3-15(12)27-16)20-13-1-4-17(19-11-13)21-5-7-26-8-6-21/h1-4,9-11H,5-8H2,(H,20,23).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide?
N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30771170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).