ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate

C19H23N3O4S2 — CID 18127170

IUPACethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C19H23N3O4S2/c1-3-26-19(25)17-13(2)11-16(28-17)20-15(23)12-21-6-8-22(9-7-21)18(24)14-5-4-10-27-14/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23)
InChIKeyMGZSIGWONXVIFT-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.69
Rot. Bonds6

About ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate (PubChem CID 18127170) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
PubChem CID18127170
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Nameethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)cc1C
InChIInChI=1S/C19H23N3O4S2/c1-3-26-19(25)17-13(2)11-16(28-17)20-15(23)12-21-6-8-22(9-7-21)18(24)14-5-4-10-27-14/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23)
InChIKeyMGZSIGWONXVIFT-UHFFFAOYSA-N
XLogP2.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-5-[[2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 37113322
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CID 30733791
ethyl 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 41334880
ethyl 3-methyl-5-[4-(thiophene-2-carbonylamino)butanoylamino]thiophene-2-carboxylate
CID 78794807
ethyl 3-methyl-5-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55739127
ethyl 5-[[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30648110
ethyl 5-[[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 55830976
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622
ethyl 3-methyl-5-[[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 38559577
ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 51318878
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17491103
ethyl 3-methyl-5-[[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate (CID 18127170) is ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CN2CCN(C(=O)c3cccs3)CC2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is MGZSIGWONXVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-3-26-19(25)17-13(2)11-16(28-17)20-15(23)12-21-6-8-22(9-7-21)18(24)14-5-4-10-27-14/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23).
What are the key properties of ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 421.54 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 18127170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).