1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide

C22H29N3O5S — CID 55975411

IUPAC1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C22H29N3O5S/c1-16(2)24-31(28,29)15-18-9-4-3-8-17(18)14-23-21(26)19-10-5-6-12-25(19)22(27)20-11-7-13-30-20/h3-4,7-9,11,13,16,19,24H,5-6,10,12,14-15H2,1-2H3,(H,23,26)
InChIKeyCXZMMWJANDTXAD-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.42
Rot. Bonds8

About 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide

1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 55975411) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID55975411
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C22H29N3O5S/c1-16(2)24-31(28,29)15-18-9-4-3-8-17(18)14-23-21(26)19-10-5-6-12-25(19)22(27)20-11-7-13-30-20/h3-4,7-9,11,13,16,19,24H,5-6,10,12,14-15H2,1-2H3,(H,23,26)
InChIKeyCXZMMWJANDTXAD-UHFFFAOYSA-N
XLogP2.42
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
(2S)-1-(furan-2-carbonyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24582300
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 95587013
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 55975291
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide (CID 55975411) is 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is CXZMMWJANDTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16(2)24-31(28,29)15-18-9-4-3-8-17(18)14-23-21(26)19-10-5-6-12-25(19)22(27)20-11-7-13-30-20/h3-4,7-9,11,13,16,19,24H,5-6,10,12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 55975411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).