3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide

C20H27N3O5S — CID 110828918

IUPAC3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)CNCC(c2ccco2)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O5S/c1-22(2)29(25,26)17-6-3-5-16(13-17)19(24)15-21-14-18(20-7-4-10-28-20)23-8-11-27-12-9-23/h3-7,10,13,18,21H,8-9,11-12,14-15H2,1-2H3
InChIKeyJVKXMLLHRLUQIC-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.38
Rot. Bonds9

About 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide

3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 110828918) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
PubChem CID110828918
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)CNCC(c2ccco2)N2CCOCC2)c1
InChIInChI=1S/C20H27N3O5S/c1-22(2)29(25,26)17-6-3-5-16(13-17)19(24)15-21-14-18(20-7-4-10-28-20)23-8-11-27-12-9-23/h3-7,10,13,18,21H,8-9,11-12,14-15H2,1-2H3
InChIKeyJVKXMLLHRLUQIC-UHFFFAOYSA-N
XLogP1.38
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-1-(4-methylphenyl)ethanone
CID 110825984
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110829885
3-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 4501315
2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829599
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 7719507
2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828098
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828342
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 7217179
methyl 3-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]benzoate
CID 47019084

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide (CID 110828918) is 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)CNCC(c2ccco2)N2CCOCC2)c1.
What is the InChIKey of 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JVKXMLLHRLUQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-22(2)29(25,26)17-6-3-5-16(13-17)19(24)15-21-14-18(20-7-4-10-28-20)23-8-11-27-12-9-23/h3-7,10,13,18,21H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide?
3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 110828918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).