4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide

C22H17NO4S — CID 7693156

IUPAC4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2cccs2)cc1
InChIInChI=1S/C22H17NO4S/c1-13-5-3-6-16-19(24)18(17-7-4-12-28-17)22(27-20(13)16)23-21(25)14-8-10-15(26-2)11-9-14/h3-12H,1-2H3,(H,23,25)
InChIKeyCKWUUHLMBVWUHF-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.09
Rot. Bonds4

About 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide

4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide (PubChem CID 7693156) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide
PubChem CID7693156
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC Name4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2cccs2)cc1
InChIInChI=1S/C22H17NO4S/c1-13-5-3-6-16-19(24)18(17-7-4-12-28-17)22(27-20(13)16)23-21(25)14-8-10-15(26-2)11-9-14/h3-12H,1-2H3,(H,23,25)
InChIKeyCKWUUHLMBVWUHF-UHFFFAOYSA-N
XLogP5.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-2-yl]-3-nitrobenzamide
CID 16957094
N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide
CID 7693008
4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 7463129
4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
[2-benzamido-6-(4-methoxyphenyl)-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
CID 162663805
[6-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
CID 162665750
N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
CID 4898812
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
[2-[(3-fluorobenzoyl)amino]-6-(4-methoxyphenyl)-3-thiophen-2-yl-1-benzofuran-4-yl] acetate
CID 162668698
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid
CID 69101070

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide (CID 7693156) is 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide is COc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide?
The InChIKey is CKWUUHLMBVWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c1-13-5-3-6-16-19(24)18(17-7-4-12-28-17)22(27-20(13)16)23-21(25)14-8-10-15(26-2)11-9-14/h3-12H,1-2H3,(H,23,25).
What are the key properties of 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide?
4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(8-methyl-4-oxo-3-thiophen-2-ylchromen-2-yl)benzamide is sourced from PubChem (CID 7693156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).