1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide

C24H23N3O4S — CID 55447623

IUPAC1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)c2ccccc2)CC1
InChIInChI=1S/C24H23N3O4S/c25-17-20-7-4-5-11-23(20)32(29,30)26-14-12-19(13-15-26)24(28)27(18-22-10-6-16-31-22)21-8-2-1-3-9-21/h1-11,16,19H,12-15,18H2
InChIKeyINNYMNHOKQMPFG-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.79
Rot. Bonds6

About 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 55447623) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide
PubChem CID55447623
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)c2ccccc2)CC1
InChIInChI=1S/C24H23N3O4S/c25-17-20-7-4-5-11-23(20)32(29,30)26-14-12-19(13-15-26)24(28)27(18-22-10-6-16-31-22)21-8-2-1-3-9-21/h1-11,16,19H,12-15,18H2
InChIKeyINNYMNHOKQMPFG-UHFFFAOYSA-N
XLogP3.79
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 16571999
N-(furan-2-ylmethyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 31963917
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
N-(furan-2-ylmethyl)-4-oxo-N-phenylazetidine-2-carboxamide
CID 78596170
N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9286763
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
1-(2-cyanophenyl)sulfonyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 24503398
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 55967746

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide (CID 55447623) is 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide is N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is INNYMNHOKQMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c25-17-20-7-4-5-11-23(20)32(29,30)26-14-12-19(13-15-26)24(28)27(18-22-10-6-16-31-22)21-8-2-1-3-9-21/h1-11,16,19H,12-15,18H2.
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-(furan-2-ylmethyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55447623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).