2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide

C20H13NO4S2 — CID 121131705

IUPAC2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(c1cccs1)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)s1
InChIInChI=1S/C20H13NO4S2/c22-18(16-6-3-9-26-16)17-8-7-13(27-17)11-21-19(23)14-10-12-4-1-2-5-15(12)25-20(14)24/h1-10H,11H2,(H,21,23)
InChIKeyXCKFQOFOMNPMFQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.08
Rot. Bonds5

About 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide

2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide (PubChem CID 121131705) has the molecular formula C20H13NO4S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
PubChem CID121131705
Molecular FormulaC20H13NO4S2
Molecular Weight395.46 g/mol
Exact Mass395.03
IUPAC Name2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(c1cccs1)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)s1
InChIInChI=1S/C20H13NO4S2/c22-18(16-6-3-9-26-16)17-8-7-13(27-17)11-21-19(23)14-10-12-4-1-2-5-15(12)25-20(14)24/h1-10H,11H2,(H,21,23)
InChIKeyXCKFQOFOMNPMFQ-UHFFFAOYSA-N
XLogP4.08
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 71787831
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
2-chloro-5-nitro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131720
2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide
CID 20973227
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 75435887
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide (CID 121131705) is 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide is O=C(c1cccs1)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)s1.
What is the InChIKey of 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is XCKFQOFOMNPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4S2/c22-18(16-6-3-9-26-16)17-8-7-13(27-17)11-21-19(23)14-10-12-4-1-2-5-15(12)25-20(14)24/h1-10H,11H2,(H,21,23).
What are the key properties of 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide?
2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 121131705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).