N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide

C20H32N4O5S — CID 52518681

IUPACN-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1
InChIInChI=1S/C20H32N4O5S/c1-4-8-18(25)21-16-9-7-12-22(13-16)20(27)15-23-14-17(10-11-19(23)26)30(28,29)24(5-2)6-3/h10-11,14,16H,4-9,12-13,15H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyZYGXNBWNMHDCSF-INIZCTEOSA-N
MW440.57 g/mol
LogP0.79
Rot. Bonds9

About N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide

N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide (PubChem CID 52518681) has the molecular formula C20H32N4O5S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide
PubChem CID52518681
Molecular FormulaC20H32N4O5S
Molecular Weight440.57 g/mol
Exact Mass440.21
IUPAC NameN-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1
InChIInChI=1S/C20H32N4O5S/c1-4-8-18(25)21-16-9-7-12-22(13-16)20(27)15-23-14-17(10-11-19(23)26)30(28,29)24(5-2)6-3/h10-11,14,16H,4-9,12-13,15H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyZYGXNBWNMHDCSF-INIZCTEOSA-N
XLogP0.79
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide?
The IUPAC name of N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide (CID 52518681) is N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide is CCCC(=O)N[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1.
What is the InChIKey of N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide?
The InChIKey is ZYGXNBWNMHDCSF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32N4O5S/c1-4-8-18(25)21-16-9-7-12-22(13-16)20(27)15-23-14-17(10-11-19(23)26)30(28,29)24(5-2)6-3/h10-11,14,16H,4-9,12-13,15H2,1-3H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide?
N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide has a molecular weight of 440.57 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]piperidin-3-yl]butanamide is sourced from PubChem (CID 52518681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).