N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

C20H24N2O4S — CID 97374923

IUPACN-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C20H24N2O4S/c1-15-7-8-17(26-15)19(23)22-13-11-20(12-14-22)10-9-18(20)21-27(24,25)16-5-3-2-4-6-16/h2-8,18,21H,9-14H2,1H3/t18-/m0/s1
InChIKeyXSEZAYWGRJLYQW-SFHVURJKSA-N
MW388.49 g/mol
LogP2.95
Rot. Bonds4

About N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (PubChem CID 97374923) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
PubChem CID97374923
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)o1
InChIInChI=1S/C20H24N2O4S/c1-15-7-8-17(26-15)19(23)22-13-11-20(12-14-22)10-9-18(20)21-27(24,25)16-5-3-2-4-6-16/h2-8,18,21H,9-14H2,1H3/t18-/m0/s1
InChIKeyXSEZAYWGRJLYQW-SFHVURJKSA-N
XLogP2.95
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(5S)-9-(5-methylfuran-2-carbonyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
CID 97486654
N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374891
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 125215989
N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
CID 155871713
N-[7-(furan-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 155845063
N-[7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 155848564
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
CID 97374851
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470195
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (CID 97374923) is N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is Cc1ccc(C(=O)N2CCC3(CC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)o1.
What is the InChIKey of N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The InChIKey is XSEZAYWGRJLYQW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-7-8-17(26-15)19(23)22-13-11-20(12-14-22)10-9-18(20)21-27(24,25)16-5-3-2-4-6-16/h2-8,18,21H,9-14H2,1H3/t18-/m0/s1.
What are the key properties of N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is sourced from PubChem (CID 97374923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).