[2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C26H32N2O3S — CID 10575642

IUPAC[2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESCOc1cc2sc(N(C)C)c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c2cc1C
InChIInChI=1S/C26H32N2O3S/c1-18-16-21-23(17-22(18)30-4)32-26(27(2)3)24(21)25(29)19-8-10-20(11-9-19)31-15-14-28-12-6-5-7-13-28/h8-11,16-17H,5-7,12-15H2,1-4H3
InChIKeyKVVHQGDSIPXCEH-UHFFFAOYSA-N
MW452.62 g/mol
LogP5.38
Rot. Bonds8

About [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

[2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 10575642) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID10575642
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC Name[2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESCOc1cc2sc(N(C)C)c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c2cc1C
InChIInChI=1S/C26H32N2O3S/c1-18-16-21-23(17-22(18)30-4)32-26(27(2)3)24(21)25(29)19-8-10-20(11-9-19)31-15-14-28-12-6-5-7-13-28/h8-11,16-17H,5-7,12-15H2,1-4H3
InChIKeyKVVHQGDSIPXCEH-UHFFFAOYSA-N
XLogP5.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone with MolForge

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Related Compounds

[2-(dimethylamino)-5-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 10575023
[2-(dimethylamino)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 67810103
(6-methoxy-2-phenyl-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 10648095
[2-(2-ethyl-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19600498
[2-(4-fluorophenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 100980643
(2-ethyl-6-hydroxy-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 10573580
[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]-(2,4,6-trimethylphenyl)methanone
CID 159528989
[4-(diethylaminomethyl)-3-methoxyphenyl]-[6-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone
CID 20666870
N-methyl-2-[4-(methylcarbamoyl)phenyl]-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxamide;hydrochloride
CID 22001278
[4-[(1R,2R)-2-(dimethylamino)cyclohexyl]oxyphenyl]-[6-methoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methanone
CID 18397527
[6-ethenyl-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362883
[6-hydroxy-5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]-[4-[2-(2-iodopyrrolidin-1-yl)ethoxy]phenyl]methanone
CID 70255231

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 10575642) is [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is COc1cc2sc(N(C)C)c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c2cc1C.
What is the InChIKey of [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is KVVHQGDSIPXCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-18-16-21-23(17-22(18)30-4)32-26(27(2)3)24(21)25(29)19-8-10-20(11-9-19)31-15-14-28-12-6-5-7-13-28/h8-11,16-17H,5-7,12-15H2,1-4H3.
What are the key properties of [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
[2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 452.62 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-6-methoxy-5-methyl-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 10575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).