N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C22H31N3O4S — CID 60574382

IUPACN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CC(C)CN(CC(C)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1
InChIInChI=1S/C22H31N3O4S/c1-16-11-17(2)14-25(13-16)15-18(3)24-22(26)19-6-8-21(9-7-19)30(27,28)23-12-20-5-4-10-29-20/h4-10,16-18,23H,11-15H2,1-3H3,(H,24,26)
InChIKeyZFTZAFBEFMUQAF-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.85
Rot. Bonds8

About N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 60574382) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID60574382
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CC(C)CN(CC(C)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1
InChIInChI=1S/C22H31N3O4S/c1-16-11-17(2)14-25(13-16)15-18(3)24-22(26)19-6-8-21(9-7-19)30(27,28)23-12-20-5-4-10-29-20/h4-10,16-18,23H,11-15H2,1-3H3,(H,24,26)
InChIKeyZFTZAFBEFMUQAF-UHFFFAOYSA-N
XLogP2.85
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-4-(phenylsulfamoyl)benzamide
CID 52741034
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
4-(furan-2-ylmethylsulfamoyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31443585
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 98392756
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24611419
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 60574382) is N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CC1CC(C)CN(CC(C)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1.
What is the InChIKey of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ZFTZAFBEFMUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-16-11-17(2)14-25(13-16)15-18(3)24-22(26)19-6-8-21(9-7-19)30(27,28)23-12-20-5-4-10-29-20/h4-10,16-18,23H,11-15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 433.57 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 60574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).