(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

C18H17FN2O3S3 — CID 24680701

IUPAC(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)s1
InChIInChI=1S/C18H17FN2O3S3/c1-12-2-5-17(25-12)27(23,24)21-8-6-20(7-9-21)18(22)16-11-13-10-14(19)3-4-15(13)26-16/h2-5,10-11H,6-9H2,1H3
InChIKeyFEAJVLHFZYNBGN-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.56
Rot. Bonds3

About (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone

(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24680701) has the molecular formula C18H17FN2O3S3 and a molecular weight of 424.54 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID24680701
Molecular FormulaC18H17FN2O3S3
Molecular Weight424.54 g/mol
Exact Mass424.04
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)s1
InChIInChI=1S/C18H17FN2O3S3/c1-12-2-5-17(25-12)27(23,24)21-8-6-20(7-9-21)18(22)16-11-13-10-14(19)3-4-15(13)26-16/h2-5,10-11H,6-9H2,1H3
InChIKeyFEAJVLHFZYNBGN-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclopropylidenepiperidin-1-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 121186953
5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16616013
N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 110805246
(2,4-dichlorophenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33049140
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
(5-fluoro-1-benzothiophen-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 31114232
[4-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119518600
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone (CID 24680701) is (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FEAJVLHFZYNBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S3/c1-12-2-5-17(25-12)27(23,24)21-8-6-20(7-9-21)18(22)16-11-13-10-14(19)3-4-15(13)26-16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone?
(5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 424.54 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24680701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).