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

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 49065469
N-[(2S)-1-oxo-1-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734055
N-[(2S)-1-oxo-1-[[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]propan-2-yl]furan-3-carboxamide
CID 124734053
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-cyclopropylfuran-3-carboxamide
CID 60698418
N-[1-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 136512280
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94177612

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).