9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C20H16N2O4S — CID 12004905

IUPAC9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc1CO2
InChIInChI=1S/C20H16N2O4S/c1-11-5-3-8-16-18(11)19-13(10-26-16)9-17(27-19)20(23)21-14-6-4-7-15(12(14)2)22(24)25/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyQBNQNHFJZGZMPO-UHFFFAOYSA-N
MW380.43 g/mol
LogP5.08
Rot. Bonds3

About 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 12004905) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID12004905
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc1CO2
InChIInChI=1S/C20H16N2O4S/c1-11-5-3-8-16-18(11)19-13(10-26-16)9-17(27-19)20(23)21-14-6-4-7-15(12(14)2)22(24)25/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyQBNQNHFJZGZMPO-UHFFFAOYSA-N
XLogP5.08
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-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

N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 12004789
(9-methyl-4H-thieno[3,2-c]chromen-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 16010359
N,9-dimethyl-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010393
N-(4-ethoxyphenyl)-9-methyl-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010420
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010422
N-[2-(aminocarbonyl)phenyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010448
N-(3-acetylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010472
9-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16193738
N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877898
N-(4-ethoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 7473157
N-(3-ethylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010272
N-(2,4-difluorophenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010355

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 12004905) is 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc2c1-c1sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc1CO2.
What is the InChIKey of 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is QBNQNHFJZGZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-11-5-3-8-16-18(11)19-13(10-26-16)9-17(27-19)20(23)21-14-6-4-7-15(12(14)2)22(24)25/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(2-methyl-3-nitrophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 12004905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).