2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C18H28N4O3S — CID 43813763

IUPAC2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(C(N)=O)c1C
InChIInChI=1S/C18H28N4O3S/c1-11-12(2)26-16(14(11)15(19)24)20-13(23)10-21-6-8-22(9-7-21)17(25)18(3,4)5/h6-10H2,1-5H3,(H2,19,24)(H,20,23)
InChIKeyLGQUZLCSWYDLAM-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.59
Rot. Bonds4

About 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 43813763) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID43813763
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(C(N)=O)c1C
InChIInChI=1S/C18H28N4O3S/c1-11-12(2)26-16(14(11)15(19)24)20-13(23)10-21-6-8-22(9-7-21)17(25)18(3,4)5/h6-10H2,1-5H3,(H2,19,24)(H,20,23)
InChIKeyLGQUZLCSWYDLAM-UHFFFAOYSA-N
XLogP1.59
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 43813763) is 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is LGQUZLCSWYDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-11-12(2)26-16(14(11)15(19)24)20-13(23)10-21-6-8-22(9-7-21)17(25)18(3,4)5/h6-10H2,1-5H3,(H2,19,24)(H,20,23).
What are the key properties of 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 43813763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).