N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide

C21H15NO4S — CID 18568866

IUPACN-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1
InChIInChI=1S/C21H15NO4S/c1-25-15-7-4-13(5-8-15)18-12-17(23)16-9-6-14(11-19(16)26-18)22-21(24)20-3-2-10-27-20/h2-12H,1H3,(H,22,24)
InChIKeyZOQCEBSHJOQAPS-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.78
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide

N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide (PubChem CID 18568866) has the molecular formula C21H15NO4S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
PubChem CID18568866
Molecular FormulaC21H15NO4S
Molecular Weight377.42 g/mol
Exact Mass377.07
IUPAC NameN-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1
InChIInChI=1S/C21H15NO4S/c1-25-15-7-4-13(5-8-15)18-12-17(23)16-9-6-14(11-19(16)26-18)22-21(24)20-3-2-10-27-20/h2-12H,1H3,(H,22,24)
InChIKeyZOQCEBSHJOQAPS-UHFFFAOYSA-N
XLogP4.78
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108730744
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 17092611
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide (CID 18568866) is N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide is COc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
The InChIKey is ZOQCEBSHJOQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4S/c1-25-15-7-4-13(5-8-15)18-12-17(23)16-9-6-14(11-19(16)26-18)22-21(24)20-3-2-10-27-20/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide is sourced from PubChem (CID 18568866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).