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

C19H18N2O5S — CID 17281894

IUPACethyl 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)OCC
InChIInChI=1S/C19H18N2O5S/c1-4-25-19(24)14-9(2)10(3)27-18(14)21-17(23)12-8-11-6-5-7-13(22)15(11)26-16(12)20/h5-8,20,22H,4H2,1-3H3,(H,21,23)/b20-16-
InChIKeyAEXOEOJIFPETGN-SILNSSARSA-N
MW386.43 g/mol
LogP3.73
Rot. Bonds4

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

ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 17281894) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID17281894
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Nameethyl 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)OCC
InChIInChI=1S/C19H18N2O5S/c1-4-25-19(24)14-9(2)10(3)27-18(14)21-17(23)12-8-11-6-5-7-13(22)15(11)26-16(12)20/h5-8,20,22H,4H2,1-3H3,(H,21,23)/b20-16-
InChIKeyAEXOEOJIFPETGN-SILNSSARSA-N
XLogP3.73
TPSA112.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19572105
methyl 5-(dimethylcarbamoyl)-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 17281910
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]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19572131
ethyl 2-[(6-chloro-2-iminochromene-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 17281895
ethyl 2-[(2-iminochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572149
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 19288997
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572093
ethyl 4,5-dimethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 737612
methyl 5-carbamoyl-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 4511953
methyl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 17281923
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 17281894) is ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 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)OCC.
What is the InChIKey of ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is AEXOEOJIFPETGN-SILNSSARSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-4-25-19(24)14-9(2)10(3)27-18(14)21-17(23)12-8-11-6-5-7-13(22)15(11)26-16(12)20/h5-8,20,22H,4H2,1-3H3,(H,21,23)/b20-16-.
What are the key properties of ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 17281894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).