1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide

C23H23N3O5S — CID 55505334

IUPAC1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C23H23N3O5S/c27-22(20-9-4-5-15-26(20)32(29,30)19-7-2-1-3-8-19)24-17-11-13-18(14-12-17)25-23(28)21-10-6-16-31-21/h1-3,6-8,10-14,16,20H,4-5,9,15H2,(H,24,27)(H,25,28)
InChIKeyYJXQNFVKGDOBAJ-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.71
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide (PubChem CID 55505334) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
PubChem CID55505334
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1)c1ccco1
InChIInChI=1S/C23H23N3O5S/c27-22(20-9-4-5-15-26(20)32(29,30)19-7-2-1-3-8-19)24-17-11-13-18(14-12-17)25-23(28)21-10-6-16-31-21/h1-3,6-8,10-14,16,20H,4-5,9,15H2,(H,24,27)(H,25,28)
InChIKeyYJXQNFVKGDOBAJ-UHFFFAOYSA-N
XLogP3.71
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
CID 112803511
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648529
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide (CID 55505334) is 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1)c1ccco1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is YJXQNFVKGDOBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c27-22(20-9-4-5-15-26(20)32(29,30)19-7-2-1-3-8-19)24-17-11-13-18(14-12-17)25-23(28)21-10-6-16-31-21/h1-3,6-8,10-14,16,20H,4-5,9,15H2,(H,24,27)(H,25,28).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 55505334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).