methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

C18H28N2O3S — CID 4650412

IUPACmethyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)NC2(C)C
InChIInChI=1S/C18H28N2O3S/c1-7-8-9-12(21)19-15-13(16(22)23-6)11-10-17(2,3)20-18(4,5)14(11)24-15/h20H,7-10H2,1-6H3,(H,19,21)
InChIKeyNTCXPSBBGBGHJT-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.82
Rot. Bonds5

About methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate

methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (PubChem CID 4650412) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
PubChem CID4650412
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Namemethyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
SMILESCCCCC(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)NC2(C)C
InChIInChI=1S/C18H28N2O3S/c1-7-8-9-12(21)19-15-13(16(22)23-6)11-10-17(2,3)20-18(4,5)14(11)24-15/h20H,7-10H2,1-6H3,(H,19,21)
InChIKeyNTCXPSBBGBGHJT-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-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
5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 3408349
methyl 2-[(4-butoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4060868
methyl 2-[(4-fluorobenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 5195126
ethyl 5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4298798
ethyl 5,5,7,7-tetramethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 68908471
ethyl 2-(ethylcarbamoylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 17422408
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
ethyl 2-[(2-methoxycarbonylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952506
methyl 2-[(3-ethylsulfonylbenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 41044226
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

Frequently Asked Questions

What is the IUPAC name of methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate (CID 4650412) is methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is CCCCC(=O)Nc1sc2c(c1C(=O)OC)CC(C)(C)NC2(C)C.
What is the InChIKey of methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is NTCXPSBBGBGHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-7-8-9-12(21)19-15-13(16(22)23-6)11-10-17(2,3)20-18(4,5)14(11)24-15/h20H,7-10H2,1-6H3,(H,19,21).
What are the key properties of methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate?
methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 352.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 4650412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).