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

C19H30N4O3S — CID 1460442

IUPAC2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC(CC)C(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2C(N)=O)CC1
InChIInChI=1S/C19H30N4O3S/c1-5-14(6-2)19(26)23-9-7-22(8-10-23)11-15(24)21-18-16(17(20)25)12(3)13(4)27-18/h14H,5-11H2,1-4H3,(H2,20,25)(H,21,24)
InChIKeyPIWMITBWVIVYCW-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.98
Rot. Bonds7

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

2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460442) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460442
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Name2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC(CC)C(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2C(N)=O)CC1
InChIInChI=1S/C19H30N4O3S/c1-5-14(6-2)19(26)23-9-7-22(8-10-23)11-15(24)21-18-16(17(20)25)12(3)13(4)27-18/h14H,5-11H2,1-4H3,(H2,20,25)(H,21,24)
InChIKeyPIWMITBWVIVYCW-UHFFFAOYSA-N
XLogP1.98
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.98
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-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460442) is 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is CCC(CC)C(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2C(N)=O)CC1.
What is the InChIKey of 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is PIWMITBWVIVYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-5-14(6-2)19(26)23-9-7-22(8-10-23)11-15(24)21-18-16(17(20)25)12(3)13(4)27-18/h14H,5-11H2,1-4H3,(H2,20,25)(H,21,24).
What are the key properties of 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).