2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide

C19H23FN2O6S — CID 55478702

IUPAC2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCCOCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H23FN2O6S/c20-18-5-4-16(29(24,25)22-7-11-26-12-8-22)13-17(18)19(23)21-6-2-9-27-14-15-3-1-10-28-15/h1,3-5,10,13H,2,6-9,11-12,14H2,(H,21,23)
InChIKeyWQFJCOLEJCCVDG-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.78
Rot. Bonds9

About 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide

2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55478702) has the molecular formula C19H23FN2O6S and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55478702
Molecular FormulaC19H23FN2O6S
Molecular Weight426.47 g/mol
Exact Mass426.13
IUPAC Name2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCCOCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C19H23FN2O6S/c20-18-5-4-16(29(24,25)22-7-11-26-12-8-22)13-17(18)19(23)21-6-2-9-27-14-15-3-1-10-28-15/h1,3-5,10,13H,2,6-9,11-12,14H2,(H,21,23)
InChIKeyWQFJCOLEJCCVDG-UHFFFAOYSA-N
XLogP1.78
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 55463061
N-[3-(furan-2-ylmethoxy)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55461553
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
N-[2-(4-butoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55796989
2-methyl-N-[3-(2-methylpropoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 8928626
4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793914
benzyl 2-[(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)amino]acetate
CID 24643713
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471264
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471609
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)benzamide
CID 26861417

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55478702) is 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide is O=C(NCCCOCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WQFJCOLEJCCVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O6S/c20-18-5-4-16(29(24,25)22-7-11-26-12-8-22)13-17(18)19(23)21-6-2-9-27-14-15-3-1-10-28-15/h1,3-5,10,13H,2,6-9,11-12,14H2,(H,21,23).
What are the key properties of 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide?
2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 426.47 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55478702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).