N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide

C20H25N3O3S — CID 51180374

IUPACN-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CCCNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-26-17-8-6-16(7-9-17)22-11-13-23(14-12-22)19(24)5-2-10-21-20(25)18-4-3-15-27-18/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,21,25)
InChIKeyVPBJSQNJVBRPJJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.62
Rot. Bonds7

About N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 51180374) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID51180374
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CCCNC(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-26-17-8-6-16(7-9-17)22-11-13-23(14-12-22)19(24)5-2-10-21-20(25)18-4-3-15-27-18/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,21,25)
InChIKeyVPBJSQNJVBRPJJ-UHFFFAOYSA-N
XLogP2.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 18104395
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
4-chloro-N-[4-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55917634
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[4-[4-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 55826913
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
N-[4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butyl]thiophene-2-carboxamide
CID 62047445
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 9254175
N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-2-carboxamide
CID 97012914

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide (CID 51180374) is N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide is COc1ccc(N2CCN(C(=O)CCCNC(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is VPBJSQNJVBRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-26-17-8-6-16(7-9-17)22-11-13-23(14-12-22)19(24)5-2-10-21-20(25)18-4-3-15-27-18/h3-4,6-9,15H,2,5,10-14H2,1H3,(H,21,25).
What are the key properties of N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 51180374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).