4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide

C22H28N4O5S2 — CID 46379820

IUPAC4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C22H28N4O5S2/c27-21(23-16-17-4-2-1-3-5-17)18-8-10-25(11-9-18)22(28)24-19-6-7-20(32-19)33(29,30)26-12-14-31-15-13-26/h1-7,18H,8-16H2,(H,23,27)(H,24,28)
InChIKeyLKJPAGGBIJJWLN-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.33
Rot. Bonds6

About 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide

4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 46379820) has the molecular formula C22H28N4O5S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
PubChem CID46379820
Molecular FormulaC22H28N4O5S2
Molecular Weight492.62 g/mol
Exact Mass492.15
IUPAC Name4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C22H28N4O5S2/c27-21(23-16-17-4-2-1-3-5-17)18-8-10-25(11-9-18)22(28)24-19-6-7-20(32-19)33(29,30)26-12-14-31-15-13-26/h1-7,18H,8-16H2,(H,23,27)(H,24,28)
InChIKeyLKJPAGGBIJJWLN-UHFFFAOYSA-N
XLogP2.33
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
CID 46379822
4-(cyclopropanecarbonyl)-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 50822475
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
1-benzylsulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 28636356
N-[(3-methylphenyl)methyl]-1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074793
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113004243
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
CID 9391433
4-(2-cyclohexylacetyl)-N-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 46379787
1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 55975291
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide (CID 46379820) is 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is LKJPAGGBIJJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S2/c27-21(23-16-17-4-2-1-3-5-17)18-8-10-25(11-9-18)22(28)24-19-6-7-20(32-19)33(29,30)26-12-14-31-15-13-26/h1-7,18H,8-16H2,(H,23,27)(H,24,28).
What are the key properties of 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 492.62 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).