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

C18H28N4O4S2 — CID 46379836

IUPAC4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NC3CC3)CC2)s1
InChIInChI=1S/C18H28N4O4S2/c1-3-22(4-2)28(25,26)16-8-7-15(27-16)20-18(24)21-11-9-13(10-12-21)17(23)19-14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyRJISDJBVODXBPN-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.30
Rot. Bonds7

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

4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 46379836) has the molecular formula C18H28N4O4S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
PubChem CID46379836
Molecular FormulaC18H28N4O4S2
Molecular Weight428.58 g/mol
Exact Mass428.16
IUPAC Name4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NC3CC3)CC2)s1
InChIInChI=1S/C18H28N4O4S2/c1-3-22(4-2)28(25,26)16-8-7-15(27-16)20-18(24)21-11-9-13(10-12-21)17(23)19-14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyRJISDJBVODXBPN-UHFFFAOYSA-N
XLogP2.30
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379832
1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 46379838
(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92895467
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
CID 46379830
4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
CID 46379822
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 46379847
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
CID 46379820

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide (CID 46379836) is 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NC3CC3)CC2)s1.
What is the InChIKey of 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is RJISDJBVODXBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S2/c1-3-22(4-2)28(25,26)16-8-7-15(27-16)20-18(24)21-11-9-13(10-12-21)17(23)19-14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide?
4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 428.58 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46379836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).