N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide

C18H23N3O5S2 — CID 24682710

IUPACN-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)s1
InChIInChI=1S/C18H23N3O5S2/c1-14-6-7-17(27-14)28(24,25)21-11-9-20(10-12-21)16(22)5-2-8-19-18(23)15-4-3-13-26-15/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,19,23)
InChIKeyFEMMUBYXIMKILT-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.69
Rot. Bonds7

About N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide

N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide (PubChem CID 24682710) has the molecular formula C18H23N3O5S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
PubChem CID24682710
Molecular FormulaC18H23N3O5S2
Molecular Weight425.53 g/mol
Exact Mass425.11
IUPAC NameN-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)s1
InChIInChI=1S/C18H23N3O5S2/c1-14-6-7-17(27-14)28(24,25)21-11-9-20(10-12-21)16(22)5-2-8-19-18(23)15-4-3-13-26-15/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,19,23)
InChIKeyFEMMUBYXIMKILT-UHFFFAOYSA-N
XLogP1.69
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861
N-[3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 26869336
N-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 35349485
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 27851017
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-sulfonamide
CID 112994626
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 33176973
N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 79030088
1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 47048144
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
1-(5-methylthiophen-2-yl)-7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]heptane-1,4,7-trione
CID 43073096
N-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]furan-2-carboxamide
CID 34820631

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide (CID 24682710) is N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCNC(=O)c3ccco3)CC2)s1.
What is the InChIKey of N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is FEMMUBYXIMKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S2/c1-14-6-7-17(27-14)28(24,25)21-11-9-20(10-12-21)16(22)5-2-8-19-18(23)15-4-3-13-26-15/h3-4,6-7,13H,2,5,8-12H2,1H3,(H,19,23).
What are the key properties of N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide?
N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 24682710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).