N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C20H25N3O5S — CID 49065469

IUPACN-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O5S/c1-15(22-20(25)17-9-12-28-14-17)19(24)21-13-16-7-10-23(11-8-16)29(26,27)18-5-3-2-4-6-18/h2-6,9,12,14-16H,7-8,10-11,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyKYRBQFXVWBGLTN-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.62
Rot. Bonds7

About N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 49065469) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID49065469
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O5S/c1-15(22-20(25)17-9-12-28-14-17)19(24)21-13-16-7-10-23(11-8-16)29(26,27)18-5-3-2-4-6-18/h2-6,9,12,14-16H,7-8,10-11,13H2,1H3,(H,21,24)(H,22,25)
InChIKeyKYRBQFXVWBGLTN-UHFFFAOYSA-N
XLogP1.62
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 47342208
N-[(2R)-1-[[(3R)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196077
N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196075
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001489
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-butylsulfanylpropanamide
CID 49065427
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171857
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204027

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 49065469) is N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is KYRBQFXVWBGLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-15(22-20(25)17-9-12-28-14-17)19(24)21-13-16-7-10-23(11-8-16)29(26,27)18-5-3-2-4-6-18/h2-6,9,12,14-16H,7-8,10-11,13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(benzenesulfonyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 49065469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).