N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide

C19H24N4O5S — CID 55826913

IUPACN-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccs1
InChIInChI=1S/C19H24N4O5S/c24-15(4-1-7-20-19(28)14-3-2-12-29-14)21-8-10-22(11-9-21)18(27)13-23-16(25)5-6-17(23)26/h2-3,12H,1,4-11,13H2,(H,20,28)
InChIKeyZQDVTMCAASNRML-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.08
Rot. Bonds7

About N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 55826913) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID55826913
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccs1
InChIInChI=1S/C19H24N4O5S/c24-15(4-1-7-20-19(28)14-3-2-12-29-14)21-8-10-22(11-9-21)18(27)13-23-16(25)5-6-17(23)26/h2-3,12H,1,4-11,13H2,(H,20,28)
InChIKeyZQDVTMCAASNRML-UHFFFAOYSA-N
XLogP0.08
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butyl]thiophene-2-carboxamide
CID 62047445
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CID 51180610
2-[1-[4-(thiophene-2-carbonylamino)butanoyl]azetidin-3-yl]acetic acid
CID 64605815
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 51180374
N-[4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 115775139
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 97012914
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-oxo-4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butyl]thiophene-2-carboxamide
CID 18138724
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
1-[2-oxo-2-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 55715180
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide (CID 55826913) is N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide is O=C(NCCCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cccs1.
What is the InChIKey of N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is ZQDVTMCAASNRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c24-15(4-1-7-20-19(28)14-3-2-12-29-14)21-8-10-22(11-9-21)18(27)13-23-16(25)5-6-17(23)26/h2-3,12H,1,4-11,13H2,(H,20,28).
What are the key properties of N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 55826913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).