N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide

C15H8N4O4S — CID 19289075

IUPACN-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C15H8N4O4S/c16-7-8-3-4-24-15(8)18-14(20)11-6-9-5-10(19(21)22)1-2-12(9)23-13(11)17/h1-6,17H,(H,18,20)/b17-13-
InChIKeyGWBUPESDKXASEC-LGMDPLHJSA-N
MW340.32 g/mol
LogP3.01
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide

N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide (PubChem CID 19289075) has the molecular formula C15H8N4O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide
PubChem CID19289075
Molecular FormulaC15H8N4O4S
Molecular Weight340.32 g/mol
Exact Mass340.03
IUPAC NameN-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C15H8N4O4S/c16-7-8-3-4-24-15(8)18-14(20)11-6-9-5-10(19(21)22)1-2-12(9)23-13(11)17/h1-6,17H,(H,18,20)/b17-13-
InChIKeyGWBUPESDKXASEC-LGMDPLHJSA-N
XLogP3.01
TPSA133.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
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'}

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Related Compounds

ethyl 2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 17379742
N-(4-acetylphenyl)-2-imino-6-nitrochromene-3-carboxamide
CID 19574015
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
1-(2-imino-6-nitrochromen-3-yl)-2,2-dimethylpropan-1-one
CID 19288930
2-imino-6-nitrochromene-3-carbothioamide
CID 5365432
N-(3-cyanothiophen-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297195
N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-6-nitro-2-oxochromene-3-carboxamide
CID 2225550
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-6-nitro-2-oxochromene-3-carboxamide
CID 2225151
N-(3-cyanothiophen-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107121859
6-bromo-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-iminochromene-3-carboxamide
CID 19289107
6-chloro-N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-iminochromene-3-carboxamide
CID 19289184
(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 42387606

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide (CID 19289075) is N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide is [H]/N=c1\oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide?
The InChIKey is GWBUPESDKXASEC-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H8N4O4S/c16-7-8-3-4-24-15(8)18-14(20)11-6-9-5-10(19(21)22)1-2-12(9)23-13(11)17/h1-6,17H,(H,18,20)/b17-13-.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide?
N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-imino-6-nitrochromene-3-carboxamide is sourced from PubChem (CID 19289075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).