(3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone

C23H21FN2O3S — CID 78853043

IUPAC(3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2occc2CSc2ccccc2)CC1
InChIInChI=1S/C23H21FN2O3S/c24-19-6-4-5-17(15-19)22(27)25-10-12-26(13-11-25)23(28)21-18(9-14-29-21)16-30-20-7-2-1-3-8-20/h1-9,14-15H,10-13,16H2
InChIKeyITDBDJLXPDGLDM-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.31
Rot. Bonds5

About (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 78853043) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
PubChem CID78853043
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name(3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2occc2CSc2ccccc2)CC1
InChIInChI=1S/C23H21FN2O3S/c24-19-6-4-5-17(15-19)22(27)25-10-12-26(13-11-25)23(28)21-18(9-14-29-21)16-30-20-7-2-1-3-8-20/h1-9,14-15H,10-13,16H2
InChIKeyITDBDJLXPDGLDM-UHFFFAOYSA-N
XLogP4.31
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-phenyl-1-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]propan-1-one
CID 78848643
2-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78828125
1,4-diazepan-1-yl-[3-(phenylsulfanylmethyl)furan-2-yl]methanone;hydrochloride
CID 119416597
2-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 78878618
phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone (CID 78853043) is (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(C(=O)c2occc2CSc2ccccc2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is ITDBDJLXPDGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c24-19-6-4-5-17(15-19)22(27)25-10-12-26(13-11-25)23(28)21-18(9-14-29-21)16-30-20-7-2-1-3-8-20/h1-9,14-15H,10-13,16H2.
What are the key properties of (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 78853043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).