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

C21H15NO4S — CID 98476004

IUPACN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cccs3)cc2o1
InChIInChI=1S/C21H15NO4S/c1-25-17-6-3-2-5-15(17)19-12-16(23)14-9-8-13(11-18(14)26-19)22-21(24)20-7-4-10-27-20/h2-12H,1H3,(H,22,24)
InChIKeyWWPOJOPLUKKHTM-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.78
Rot. Bonds4

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

N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide (PubChem CID 98476004) has the molecular formula C21H15NO4S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
PubChem CID98476004
Molecular FormulaC21H15NO4S
Molecular Weight377.42 g/mol
Exact Mass377.07
IUPAC NameN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cccs3)cc2o1
InChIInChI=1S/C21H15NO4S/c1-25-17-6-3-2-5-15(17)19-12-16(23)14-9-8-13(11-18(14)26-19)22-21(24)20-7-4-10-27-20/h2-12H,1H3,(H,22,24)
InChIKeyWWPOJOPLUKKHTM-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-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
CID 98476256
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
CID 167499224
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide
CID 98476866

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide (CID 98476004) is N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide is COc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cccs3)cc2o1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
The InChIKey is WWPOJOPLUKKHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4S/c1-25-17-6-3-2-5-15(17)19-12-16(23)14-9-8-13(11-18(14)26-19)22-21(24)20-7-4-10-27-20/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide?
N-[2-(2-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-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide is sourced from PubChem (CID 98476004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).