ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate

C18H19NO3S2 — CID 42931117

IUPACethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2Cc3ccccc3S2)sc(C)c1C
InChIInChI=1S/C18H19NO3S2/c1-4-22-18(21)15-10(2)11(3)23-17(15)19-16(20)14-9-12-7-5-6-8-13(12)24-14/h5-8,14H,4,9H2,1-3H3,(H,19,20)
InChIKeyPGQBBUOYZOLGOS-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.20
Rot. Bonds4

About ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 42931117) has the molecular formula C18H19NO3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID42931117
Molecular FormulaC18H19NO3S2
Molecular Weight361.49 g/mol
Exact Mass361.08
IUPAC Nameethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2Cc3ccccc3S2)sc(C)c1C
InChIInChI=1S/C18H19NO3S2/c1-4-22-18(21)15-10(2)11(3)23-17(15)19-16(20)14-9-12-7-5-6-8-13(12)24-14/h5-8,14H,4,9H2,1-3H3,(H,19,20)
InChIKeyPGQBBUOYZOLGOS-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40840537
ethyl 2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2654361
ethyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3631957
ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
CID 51314246
ethyl 4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
CID 903505
ethyl 2-[(2,2-dimethylcyclopropanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 107002319
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 18139260
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoate
CID 60712541
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylpentanoic acid
CID 43171234
ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate (CID 42931117) is ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2Cc3ccccc3S2)sc(C)c1C.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is PGQBBUOYZOLGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S2/c1-4-22-18(21)15-10(2)11(3)23-17(15)19-16(20)14-9-12-7-5-6-8-13(12)24-14/h5-8,14H,4,9H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 42931117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).