N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C21H27N3O5S — CID 47089613

IUPACN-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C21H27N3O5S/c1-30(27,28)24-11-9-17(10-12-24)15-22-20(25)18(14-16-6-3-2-4-7-16)23-21(26)19-8-5-13-29-19/h2-8,13,17-18H,9-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyFGYHYMAMTVRGDI-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.41
Rot. Bonds8

About N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 47089613) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID47089613
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C21H27N3O5S/c1-30(27,28)24-11-9-17(10-12-24)15-22-20(25)18(14-16-6-3-2-4-7-16)23-21(26)19-8-5-13-29-19/h2-8,13,17-18H,9-12,14-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyFGYHYMAMTVRGDI-UHFFFAOYSA-N
XLogP1.41
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46523666
N-[1-oxo-3-phenyl-1-(piperidin-3-ylmethylamino)propan-2-yl]furan-2-carboxamide;hydrochloride
CID 119462989
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-oxo-3-phenyl-1-(2-piperidin-3-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 119557967
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524
N-[1-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55708734

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 47089613) is N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CS(=O)(=O)N1CCC(CNC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is FGYHYMAMTVRGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-30(27,28)24-11-9-17(10-12-24)15-22-20(25)18(14-16-6-3-2-4-7-16)23-21(26)19-8-5-13-29-19/h2-8,13,17-18H,9-12,14-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylsulfonylpiperidin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47089613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).