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

C22H34N4O5S2 — CID 46379822

IUPAC4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C22H34N4O5S2/c27-21(23-18-5-3-1-2-4-6-18)17-9-11-25(12-10-17)22(28)24-19-7-8-20(32-19)33(29,30)26-13-15-31-16-14-26/h7-8,17-18H,1-6,9-16H2,(H,23,27)(H,24,28)
InChIKeyDCITYLAFBBYXLP-UHFFFAOYSA-N
MW498.67 g/mol
LogP2.85
Rot. Bonds5

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

4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 46379822) has the molecular formula C22H34N4O5S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
PubChem CID46379822
Molecular FormulaC22H34N4O5S2
Molecular Weight498.67 g/mol
Exact Mass498.20
IUPAC Name4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1
InChIInChI=1S/C22H34N4O5S2/c27-21(23-18-5-3-1-2-4-6-18)17-9-11-25(12-10-17)22(28)24-19-7-8-20(32-19)33(29,30)26-13-15-31-16-14-26/h7-8,17-18H,1-6,9-16H2,(H,23,27)(H,24,28)
InChIKeyDCITYLAFBBYXLP-UHFFFAOYSA-N
XLogP2.85
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopropanecarbonyl)-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 50822475
4-N-benzyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide
CID 46379820
4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379836
4-(2-cyclohexylacetyl)-N-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 46379787
N-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 86861131
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
N-cyclopropyl-1-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 651633
4-(pyridine-4-carbonyl)-N-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,4-diazepane-1-carboxamide
CID 46379780
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide (CID 46379822) is 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide is O=C(NC1CCCCCC1)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1.
What is the InChIKey of 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is DCITYLAFBBYXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O5S2/c27-21(23-18-5-3-1-2-4-6-18)17-9-11-25(12-10-17)22(28)24-19-7-8-20(32-19)33(29,30)26-13-15-31-16-14-26/h7-8,17-18H,1-6,9-16H2,(H,23,27)(H,24,28).
What are the key properties of 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 498.67 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-1-N-(5-morpholin-4-ylsulfonylthiophen-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46379822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).