5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide

C21H25NO4S — CID 51157629

IUPAC5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC2CCC1C2
InChIInChI=1S/C21H25NO4S/c1-14(19-12-15-7-8-16(19)11-15)22-21(23)20-10-9-17(26-20)13-27(24,25)18-5-3-2-4-6-18/h2-6,9-10,14-16,19H,7-8,11-13H2,1H3,(H,22,23)
InChIKeyCWRQSIWNMOPZHJ-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.81
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide (PubChem CID 51157629) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide
PubChem CID51157629
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC2CCC1C2
InChIInChI=1S/C21H25NO4S/c1-14(19-12-15-7-8-16(19)11-15)22-21(23)20-10-9-17(26-20)13-27(24,25)18-5-3-2-4-6-18/h2-6,9-10,14-16,19H,7-8,11-13H2,1H3,(H,22,23)
InChIKeyCWRQSIWNMOPZHJ-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 98422492
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
CID 1292970
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19580094
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 98421287
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450842
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98332411
N-[(1S)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 2404747
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 44825207
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 98510415
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98334363
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide (CID 51157629) is 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC2CCC1C2.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide?
The InChIKey is CWRQSIWNMOPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-14(19-12-15-7-8-16(19)11-15)22-21(23)20-10-9-17(26-20)13-27(24,25)18-5-3-2-4-6-18/h2-6,9-10,14-16,19H,7-8,11-13H2,1H3,(H,22,23).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 51157629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).