2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide

C21H19FN2O4S — CID 46615853

IUPAC2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(CSc1ccccc1F)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C21H19FN2O4S/c22-15-6-2-4-8-17(15)29-13-18(25)23-19-14-5-1-3-7-16(14)28-20(19)21(26)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeyLRMZXGHQIDBJMC-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.78
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide (PubChem CID 46615853) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
PubChem CID46615853
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(CSc1ccccc1F)Nc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C21H19FN2O4S/c22-15-6-2-4-8-17(15)29-13-18(25)23-19-14-5-1-3-7-16(14)28-20(19)21(26)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,23,25)
InChIKeyLRMZXGHQIDBJMC-UHFFFAOYSA-N
XLogP3.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
2-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 24602773
2-chloro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 17462897
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]pyridine-4-carboxamide
CID 17419143
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]furan-3-carboxamide
CID 18102271
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 51237733
(3S)-3-acetamido-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-3-thiophen-2-ylpropanamide
CID 51476944
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
CID 51457035

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide (CID 46615853) is 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide is O=C(CSc1ccccc1F)Nc1c(C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is LRMZXGHQIDBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-15-6-2-4-8-17(15)29-13-18(25)23-19-14-5-1-3-7-16(14)28-20(19)21(26)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,23,25).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 46615853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).