ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

C17H19NO4S2 — CID 1251136

IUPACethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)OC2
InChIInChI=1S/C17H19NO4S2/c1-4-21-16(20)13-10-8-17(2,3)22-9-12(10)24-15(13)18-14(19)11-6-5-7-23-11/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyDWWBKUJXNLBWFD-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.09
Rot. Bonds4

About ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate (PubChem CID 1251136) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
PubChem CID1251136
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Nameethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)OC2
InChIInChI=1S/C17H19NO4S2/c1-4-21-16(20)13-10-8-17(2,3)22-9-12(10)24-15(13)18-14(19)11-6-5-7-23-11/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyDWWBKUJXNLBWFD-UHFFFAOYSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
The IUPAC name of ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate (CID 1251136) is ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
What is the SMILES notation for ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
The canonical SMILES for ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)OC2.
What is the InChIKey of ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
The InChIKey is DWWBKUJXNLBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-4-21-16(20)13-10-8-17(2,3)22-9-12(10)24-15(13)18-14(19)11-6-5-7-23-11/h5-7H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate?
ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate has a molecular weight of 365.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-dimethyl-2-(thiophene-2-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate is sourced from PubChem (CID 1251136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).