3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide

C20H25NO4S — CID 51283677

IUPAC3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25NO4S/c22-20(21-17-9-5-2-1-3-6-10-17)19-16(13-14-25-19)15-26(23,24)18-11-7-4-8-12-18/h4,7-8,11-14,17H,1-3,5-6,9-10,15H2,(H,21,22)
InChIKeyAUWPBBHURUTELM-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.10
Rot. Bonds5

About 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide

3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide (PubChem CID 51283677) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
PubChem CID51283677
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25NO4S/c22-20(21-17-9-5-2-1-3-6-10-17)19-16(13-14-25-19)15-26(23,24)18-11-7-4-8-12-18/h4,7-8,11-14,17H,1-3,5-6,9-10,15H2,(H,21,22)
InChIKeyAUWPBBHURUTELM-UHFFFAOYSA-N
XLogP4.10
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733
3-(benzenesulfonylmethyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120554526
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491565
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466315
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
N-cyclooctyl-3-phenylfuran-2-carboxamide
CID 35163513
N-cyclohexyl-3-phenylfuran-2-carboxamide
CID 46521947
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 119380119
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467341
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide (CID 51283677) is 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide is O=C(NC1CCCCCCC1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide?
The InChIKey is AUWPBBHURUTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c22-20(21-17-9-5-2-1-3-6-10-17)19-16(13-14-25-19)15-26(23,24)18-11-7-4-8-12-18/h4,7-8,11-14,17H,1-3,5-6,9-10,15H2,(H,21,22).
What are the key properties of 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide?
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide is sourced from PubChem (CID 51283677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).