2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

C20H27N3O4S — CID 8680183

IUPAC2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1CCCCCCC1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C20H27N3O4S/c24-20(16-23-11-4-2-1-3-5-12-23)22-17-8-6-10-19(14-17)28(25,26)21-15-18-9-7-13-27-18/h6-10,13-14,21H,1-5,11-12,15-16H2,(H,22,24)
InChIKeyPAISKWLEYQRWQP-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.96
Rot. Bonds7

About 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide

2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 8680183) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID8680183
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
SMILESO=C(CN1CCCCCCC1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C20H27N3O4S/c24-20(16-23-11-4-2-1-3-5-12-23)22-17-8-6-10-19(14-17)28(25,26)21-15-18-9-7-13-27-18/h6-10,13-14,21H,1-5,11-12,15-16H2,(H,22,24)
InChIKeyPAISKWLEYQRWQP-UHFFFAOYSA-N
XLogP2.96
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35559988
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 55402300
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55439389
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 26590215
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 16589890
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24639734

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide (CID 8680183) is 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is O=C(CN1CCCCCCC1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is PAISKWLEYQRWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-20(16-23-11-4-2-1-3-5-12-23)22-17-8-6-10-19(14-17)28(25,26)21-15-18-9-7-13-27-18/h6-10,13-14,21H,1-5,11-12,15-16H2,(H,22,24).
What are the key properties of 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide?
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8680183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).