N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C22H32N4O4S2 — CID 68659027

IUPACN-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc[nH]c3=O)s2)CC1
InChIInChI=1S/C22H32N4O4S2/c1-2-3-4-5-12-23-17-10-14-26(15-11-17)32(29,30)20-9-8-18(31-20)16-25-22(28)19-7-6-13-24-21(19)27/h6-9,13,17,23H,2-5,10-12,14-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyVTKJUWWSYDUOTP-UHFFFAOYSA-N
MW480.66 g/mol
LogP2.69
Rot. Bonds11

About N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 68659027) has the molecular formula C22H32N4O4S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID68659027
Molecular FormulaC22H32N4O4S2
Molecular Weight480.66 g/mol
Exact Mass480.19
IUPAC NameN-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc[nH]c3=O)s2)CC1
InChIInChI=1S/C22H32N4O4S2/c1-2-3-4-5-12-23-17-10-14-26(15-11-17)32(29,30)20-9-8-18(31-20)16-25-22(28)19-7-6-13-24-21(19)27/h6-9,13,17,23H,2-5,10-12,14-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyVTKJUWWSYDUOTP-UHFFFAOYSA-N
XLogP2.69
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 87632316
2-oxo-N-[[5-[4-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 68659108
4-chloro-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161299912
4-chloro-N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10301851
N-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide;4-chloro-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 159352689
N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161356718
3-methoxy-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10185063
acetonitrile;N-[[5-[4-(butylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 69025617
4-chloro-N-[[5-[3-(2-ethylhexylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[3-(octylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 158023942
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
3-methoxy-N-[[5-[4-(3-morpholin-4-ylpropylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10143969
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 68659027) is N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc[nH]c3=O)s2)CC1.
What is the InChIKey of N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VTKJUWWSYDUOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S2/c1-2-3-4-5-12-23-17-10-14-26(15-11-17)32(29,30)20-9-8-18(31-20)16-25-22(28)19-7-6-13-24-21(19)27/h6-9,13,17,23H,2-5,10-12,14-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 2.69, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(hexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 68659027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).