1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide

C21H30N4O5S2 — CID 46379838

IUPAC1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCc3ccco3)CC2)s1
InChIInChI=1S/C21H30N4O5S2/c1-3-25(4-2)32(28,29)19-8-7-18(31-19)23-21(27)24-13-10-16(11-14-24)20(26)22-12-9-17-6-5-15-30-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNPPOJUWLDQJKET-UHFFFAOYSA-N
MW482.63 g/mol
LogP2.97
Rot. Bonds9

About 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide

1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 46379838) has the molecular formula C21H30N4O5S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID46379838
Molecular FormulaC21H30N4O5S2
Molecular Weight482.63 g/mol
Exact Mass482.17
IUPAC Name1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCc3ccco3)CC2)s1
InChIInChI=1S/C21H30N4O5S2/c1-3-25(4-2)32(28,29)19-8-7-18(31-19)23-21(27)24-13-10-16(11-14-24)20(26)22-12-9-17-6-5-15-30-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyNPPOJUWLDQJKET-UHFFFAOYSA-N
XLogP2.97
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379836
4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379832
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027
1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 72918464
4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
CID 46379820
N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211375
1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938693
1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 55718156
methyl 1-[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252147

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide (CID 46379838) is 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCc3ccco3)CC2)s1.
What is the InChIKey of 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is NPPOJUWLDQJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S2/c1-3-25(4-2)32(28,29)19-8-7-18(31-19)23-21(27)24-13-10-16(11-14-24)20(26)22-12-9-17-6-5-15-30-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide?
1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 482.63 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46379838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).