methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate

C17H13NO6S — CID 139537345

IUPACmethyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate
SMILESCOC(=O)c1cc2sc(NC(=O)c3cccc(OC)c3)cc2oc1=O
InChIInChI=1S/C17H13NO6S/c1-22-10-5-3-4-9(6-10)15(19)18-14-8-12-13(25-14)7-11(16(20)23-2)17(21)24-12/h3-8H,1-2H3,(H,18,19)
InChIKeyHOPRVLZTCWEIEE-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.90
Rot. Bonds4

About methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate

methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate (PubChem CID 139537345) has the molecular formula C17H13NO6S and a molecular weight of 359.36 g/mol. Its IUPAC name is methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate
PubChem CID139537345
Molecular FormulaC17H13NO6S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC Namemethyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate
SMILESCOC(=O)c1cc2sc(NC(=O)c3cccc(OC)c3)cc2oc1=O
InChIInChI=1S/C17H13NO6S/c1-22-10-5-3-4-9(6-10)15(19)18-14-8-12-13(25-14)7-11(16(20)23-2)17(21)24-12/h3-8H,1-2H3,(H,18,19)
InChIKeyHOPRVLZTCWEIEE-UHFFFAOYSA-N
XLogP2.90
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(1-methoxyethenyl)-5-oxothieno[3,2-b]pyran-2-yl]-3-phenylbenzamide
CID 156714159
methyl 2-bromo-5-oxothieno[3,2-b]pyran-6-carboxylate
CID 139550435
methyl 2-[methyl-(3-methylbenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate
CID 160720781
methyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1129124
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062
methyl 5-[(2-fluorophenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1015054
methyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]-5-oxothieno[3,2-b]pyran-6-carboxylate
CID 164521210
methyl 5-[(3-methoxyphenyl)carbamoyl]-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1130945
methyl 2-[2-(3-methoxyphenyl)-2-oxoacetyl]benzoate
CID 10108693
methyl 5-[(4-ethoxyphenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1131566
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 121297931
3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate?
The IUPAC name of methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate (CID 139537345) is methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate is COC(=O)c1cc2sc(NC(=O)c3cccc(OC)c3)cc2oc1=O.
What is the InChIKey of methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate?
The InChIKey is HOPRVLZTCWEIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO6S/c1-22-10-5-3-4-9(6-10)15(19)18-14-8-12-13(25-14)7-11(16(20)23-2)17(21)24-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate?
methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate has a molecular weight of 359.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxybenzoyl)amino]-5-oxothieno[3,2-b]pyran-6-carboxylate is sourced from PubChem (CID 139537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).