methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C18H16N2O5S — CID 19572105

IUPACmethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1sc(C)c(C)c1C(=O)OC
InChIInChI=1S/C18H16N2O5S/c1-8-9(2)26-17(13(8)18(23)24-3)20-16(22)11-7-10-5-4-6-12(21)14(10)25-15(11)19/h4-7,19,21H,1-3H3,(H,20,22)/b19-15-
InChIKeyOCBSGPUXHRPBJF-CYVLTUHYSA-N
MW372.40 g/mol
LogP3.34
Rot. Bonds3

About methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 19572105) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID19572105
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Namemethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1sc(C)c(C)c1C(=O)OC
InChIInChI=1S/C18H16N2O5S/c1-8-9(2)26-17(13(8)18(23)24-3)20-16(22)11-7-10-5-4-6-12(21)14(10)25-15(11)19/h4-7,19,21H,1-3H3,(H,20,22)/b19-15-
InChIKeyOCBSGPUXHRPBJF-CYVLTUHYSA-N
XLogP3.34
TPSA112.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17281894
methyl 5-(dimethylcarbamoyl)-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 17281910
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19572131
methyl 5-ethyl-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19572236
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572093
methyl 5-carbamoyl-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 4511953
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 19288997
methyl 2-[(2-imino-8-methoxychromene-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 19572171
methyl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 17281923
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 16649201
8-hydroxy-N-(3-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 10402283

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 19572105) is methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is [H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1sc(C)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is OCBSGPUXHRPBJF-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-8-9(2)26-17(13(8)18(23)24-3)20-16(22)11-7-10-5-4-6-12(21)14(10)25-15(11)19/h4-7,19,21H,1-3H3,(H,20,22)/b19-15-.
What are the key properties of methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 19572105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).