5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
C116H154N10O10S10 — CID 158671103
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C(C)(C)C)s1.CN(C)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccccn1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccco1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1cccs1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccoc1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/2C16H20N2OS.2C15H19NO2S.2C15H19NOS2.C13H21NOS.C11H17NOS/c1-16(2,3)14-8-7-13(20-14)15(19)18(4)11-12-6-5-9-17-10-12;1-16(2,3)14-9-8-13(20-14)15(19)18(4)11-12-7-5-6-10-17-12;1-15(2,3)13-6-5-12(19-13)14(17)16(4)9-11-7-8-18-10-11;1-15(2,3)13-8-7-12(19-13)14(17)16(4)10-11-6-5-9-18-11;1-15(2,3)13-6-5-12(19-13)14(17)16(4)9-11-7-8-18-10-11;1-15(2,3)13-8-7-12(19-13)14(17)16(4)10-11-6-5-9-18-11;1-6-14(7-2)12(15)10-8-9-11(16-10)13(3,4)5;1-11(2,3)9-7-6-8(14-9)10(13)12(4)5/h2*5-10H,11H2,1-4H3;5-8,10H,9H2,1-4H3;5-9H,10H2,1-4H3;5-8,10H,9H2,1-4H3;5-9H,10H2,1-4H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3
InChIKeyIDYPEUWGIKGJSS-UHFFFAOYSA-N
MW2169.24 g/mol
LogP30.28
Rot. Bonds22
About 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 158671103) has the molecular formula C116H154N10O10S10 and a molecular weight of 2169.24 g/mol. Its IUPAC name is 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.
Molecular Properties
| Compound Name | 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide |
|---|---|
| PubChem CID | 158671103 |
| Molecular Formula | C116H154N10O10S10 |
| Molecular Weight | 2169.24 g/mol |
| Exact Mass | 2166.91 |
| IUPAC Name | 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide |
| SMILES | CCN(CC)C(=O)c1ccc(C(C)(C)C)s1.CN(C)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccccn1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccco1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1cccs1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccoc1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)s1 |
| InChI | InChI=1S/2C16H20N2OS.2C15H19NO2S.2C15H19NOS2.C13H21NOS.C11H17NOS/c1-16(2,3)14-8-7-13(20-14)15(19)18(4)11-12-6-5-9-17-10-12;1-16(2,3)14-9-8-13(20-14)15(19)18(4)11-12-7-5-6-10-17-12;1-15(2,3)13-6-5-12(19-13)14(17)16(4)9-11-7-8-18-10-11;1-15(2,3)13-8-7-12(19-13)14(17)16(4)10-11-6-5-9-18-11;1-15(2,3)13-6-5-12(19-13)14(17)16(4)9-11-7-8-18-10-11;1-15(2,3)13-8-7-12(19-13)14(17)16(4)10-11-6-5-9-18-11;1-6-14(7-2)12(15)10-8-9-11(16-10)13(3,4)5;1-11(2,3)9-7-6-8(14-9)10(13)12(4)5/h2*5-10H,11H2,1-4H3;5-8,10H,9H2,1-4H3;5-9H,10H2,1-4H3;5-8,10H,9H2,1-4H3;5-9H,10H2,1-4H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3 |
| InChIKey | IDYPEUWGIKGJSS-UHFFFAOYSA-N |
| XLogP | 30.28 |
| TPSA | 214.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 146 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2169.24 |
| LogP ≤ 5 | 30.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (CID 158671103) is 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is CCN(CC)C(=O)c1ccc(C(C)(C)C)s1.CN(C)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccccn1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1cccnc1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccco1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1cccs1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccoc1)C(=O)c1ccc(C(C)(C)C)s1.CN(Cc1ccsc1)C(=O)c1ccc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is IDYPEUWGIKGJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20N2OS.2C15H19NO2S.2C15H19NOS2.C13H21NOS.C11H17NOS/c1-16(2,3)14-8-7-13(20-14)15(19)18(4)11-12-6-5-9-17-10-12;1-16(2,3)14-9-8-13(20-14)15(19)18(4)11-12-7-5-6-10-17-12;1-15(2,3)13-6-5-12(19-13)14(17)16(4)9-11-7-8-18-10-11;1-15(2,3)13-8-7-12(19-13)14(17)16(4)10-11-6-5-9-18-11;1-15(2,3)13-6-5-12(19-13)14(17)16(4)9-11-7-8-18-10-11;1-15(2,3)13-8-7-12(19-13)14(17)16(4)10-11-6-5-9-18-11;1-6-14(7-2)12(15)10-8-9-11(16-10)13(3,4)5;1-11(2,3)9-7-6-8(14-9)10(13)12(4)5/h2*5-10H,11H2,1-4H3;5-8,10H,9H2,1-4H3;5-9H,10H2,1-4H3;5-8,10H,9H2,1-4H3;5-9H,10H2,1-4H3;8-9H,6-7H2,1-5H3;6-7H,1-5H3.
What are the key properties of 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?
5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 2169.24 g/mol, XLogP of 30.28, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,N-diethylthiophene-2-carboxamide;5-tert-butyl-N,N-dimethylthiophene-2-carboxamide;5-tert-butyl-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide;5-tert-butyl-N-methyl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 158671103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158671103 — identifiers, structure, computed properties (public domain)
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