[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone

C24H20ClNOS2 — CID 134273296

IUPAC[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2csc(-c3csc4ccccc34)c2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C24H20ClNOS2/c25-21-12-16(24(27)26-10-4-1-5-11-26)8-9-18(21)17-13-23(28-14-17)20-15-29-22-7-3-2-6-19(20)22/h2-3,6-9,12-15H,1,4-5,10-11H2
InChIKeyKYSGLDJLOSSVQX-UHFFFAOYSA-N
MW438.02 g/mol
LogP7.58
Rot. Bonds3

About [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone

[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone (PubChem CID 134273296) has the molecular formula C24H20ClNOS2 and a molecular weight of 438.02 g/mol. Its IUPAC name is [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
PubChem CID134273296
Molecular FormulaC24H20ClNOS2
Molecular Weight438.02 g/mol
Exact Mass437.07
IUPAC Name[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2csc(-c3csc4ccccc34)c2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C24H20ClNOS2/c25-21-12-16(24(27)26-10-4-1-5-11-26)8-9-18(21)17-13-23(28-14-17)20-15-29-22-7-3-2-6-19(20)22/h2-3,6-9,12-15H,1,4-5,10-11H2
InChIKeyKYSGLDJLOSSVQX-UHFFFAOYSA-N
XLogP7.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.02
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-[5-[2-(dimethylamino)-4-pyridinyl]thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
CID 134273266
[4-[5-[6-amino-2-(2-methylpropyl)pyrimidin-4-yl]thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273240
[4-[5-[2-[butyl(propyl)amino]pyrimidin-4-yl]thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone
CID 134273246
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone
CID 134273167
[(3R)-3-aminopiperidin-1-yl]-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone
CID 140844470
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
[3-fluoro-4-[5-(2-propyl-4-pyridinyl)thiophen-3-yl]phenyl]-piperidin-1-ylmethanone
CID 134273313
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
[3-chloro-4-[5-[2-(3-methylbutyl)pyrazol-3-yl]thiophen-3-yl]phenyl]-morpholin-4-ylmethanone
CID 134273225
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone (CID 134273296) is [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2csc(-c3csc4ccccc34)c2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone?
The InChIKey is KYSGLDJLOSSVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNOS2/c25-21-12-16(24(27)26-10-4-1-5-11-26)8-9-18(21)17-13-23(28-14-17)20-15-29-22-7-3-2-6-19(20)22/h2-3,6-9,12-15H,1,4-5,10-11H2.
What are the key properties of [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone?
[4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone has a molecular weight of 438.02 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1-benzothiophen-3-yl)thiophen-3-yl]-3-chlorophenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134273296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).