N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide

C16H25N3O5S — CID 55839167

IUPACN-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C(C)NC(=O)c2ccoc2)CC1
InChIInChI=1S/C16H25N3O5S/c1-3-10-25(22,23)19-7-4-14(5-8-19)18-15(20)12(2)17-16(21)13-6-9-24-11-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyRNEHQTYQJORKOW-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.72
Rot. Bonds7

About N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide (PubChem CID 55839167) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
PubChem CID55839167
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)C(C)NC(=O)c2ccoc2)CC1
InChIInChI=1S/C16H25N3O5S/c1-3-10-25(22,23)19-7-4-14(5-8-19)18-15(20)12(2)17-16(21)13-6-9-24-11-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyRNEHQTYQJORKOW-UHFFFAOYSA-N
XLogP0.72
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide (CID 55839167) is N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)C(C)NC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide?
The InChIKey is RNEHQTYQJORKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-3-10-25(22,23)19-7-4-14(5-8-19)18-15(20)12(2)17-16(21)13-6-9-24-11-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55839167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).