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

C18H26N4O3S — CID 43813764

IUPAC2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN2CCN(C(=O)C3CCC3)CC2)c(C(N)=O)c1C
InChIInChI=1S/C18H26N4O3S/c1-11-12(2)26-17(15(11)16(19)24)20-14(23)10-21-6-8-22(9-7-21)18(25)13-4-3-5-13/h13H,3-10H2,1-2H3,(H2,19,24)(H,20,23)
InChIKeyVEUJDCKXUVOWFF-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.35
Rot. Bonds5

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

2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 43813764) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID43813764
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN2CCN(C(=O)C3CCC3)CC2)c(C(N)=O)c1C
InChIInChI=1S/C18H26N4O3S/c1-11-12(2)26-17(15(11)16(19)24)20-14(23)10-21-6-8-22(9-7-21)18(25)13-4-3-5-13/h13H,3-10H2,1-2H3,(H2,19,24)(H,20,23)
InChIKeyVEUJDCKXUVOWFF-UHFFFAOYSA-N
XLogP1.35
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 43813764) is 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN2CCN(C(=O)C3CCC3)CC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is VEUJDCKXUVOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-11-12(2)26-17(15(11)16(19)24)20-14(23)10-21-6-8-22(9-7-21)18(25)13-4-3-5-13/h13H,3-10H2,1-2H3,(H2,19,24)(H,20,23).
What are the key properties of 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 43813764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).