methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

C22H25N3O5S — CID 43952522

IUPACmethyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CC(C)(C)NC2(C)C
InChIInChI=1S/C22H25N3O5S/c1-21(2)10-12-16(19(27)29-5)18(31-17(12)22(3,4)24-21)23-15(26)11-25-13-8-6-7-9-14(13)30-20(25)28/h6-9,24H,10-11H2,1-5H3,(H,23,26)
InChIKeyLGPMNJYZRPTBEK-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.24
Rot. Bonds4

About methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 43952522) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID43952522
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Namemethyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CC(C)(C)NC2(C)C
InChIInChI=1S/C22H25N3O5S/c1-21(2)10-12-16(19(27)29-5)18(31-17(12)22(3,4)24-21)23-15(26)11-25-13-8-6-7-9-14(13)30-20(25)28/h6-9,24H,10-11H2,1-5H3,(H,23,26)
InChIKeyLGPMNJYZRPTBEK-UHFFFAOYSA-N
XLogP3.24
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-(butanoylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4601215
methyl 2-[[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952520
methyl 5,5,7,7-tetramethyl-2-(naphthalene-2-carbonylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4072775
methyl 2-[(4-fluorobenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 5195126
ethyl 6-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 17321909
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17413485
methyl 4,5-dimethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 16561123
methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685
methyl 2-[(4-butoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4060868
ethyl 5,5,7,7-tetramethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952488
ethyl 5,5,7,7-tetramethyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 27999828
methyl 4-[(3-carbamoyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
CID 3663157

Frequently Asked Questions

What is the IUPAC name of methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (CID 43952522) is methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(NC(=O)Cn2c(=O)oc3ccccc32)sc2c1CC(C)(C)NC2(C)C.
What is the InChIKey of methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is LGPMNJYZRPTBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-21(2)10-12-16(19(27)29-5)18(31-17(12)22(3,4)24-21)23-15(26)11-25-13-8-6-7-9-14(13)30-20(25)28/h6-9,24H,10-11H2,1-5H3,(H,23,26).
What are the key properties of methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 443.53 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5,7,7-tetramethyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 43952522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).