N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide

C27H34N2O2S — CID 19064626

IUPACN-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc2scc(C3CCN(C(C)(C)C)CC3)c2c1
InChIInChI=1S/C27H34N2O2S/c1-5-16-31-24-9-7-6-8-21(24)26(30)28-20-10-11-25-22(17-20)23(18-32-25)19-12-14-29(15-13-19)27(2,3)4/h6-11,17-19H,5,12-16H2,1-4H3,(H,28,30)
InChIKeyRMRASIHSLGLXHA-UHFFFAOYSA-N
MW450.65 g/mol
LogP6.92
Rot. Bonds6

About N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide

N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide (PubChem CID 19064626) has the molecular formula C27H34N2O2S and a molecular weight of 450.65 g/mol. Its IUPAC name is N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide
PubChem CID19064626
Molecular FormulaC27H34N2O2S
Molecular Weight450.65 g/mol
Exact Mass450.23
IUPAC NameN-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc2scc(C3CCN(C(C)(C)C)CC3)c2c1
InChIInChI=1S/C27H34N2O2S/c1-5-16-31-24-9-7-6-8-21(24)26(30)28-20-10-11-25-22(17-20)23(18-32-25)19-12-14-29(15-13-19)27(2,3)4/h6-11,17-19H,5,12-16H2,1-4H3,(H,28,30)
InChIKeyRMRASIHSLGLXHA-UHFFFAOYSA-N
XLogP6.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.65
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-methylsulfonylbenzamide
CID 19064706
2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide
CID 19064722
2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
CID 19064704
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
3-cyano-N-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]benzamide
CID 54375494
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide?
The IUPAC name of N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide (CID 19064626) is N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide.
What is the SMILES notation for N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide?
The canonical SMILES for N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1ccc2scc(C3CCN(C(C)(C)C)CC3)c2c1.
What is the InChIKey of N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide?
The InChIKey is RMRASIHSLGLXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2S/c1-5-16-31-24-9-7-6-8-21(24)26(30)28-20-10-11-25-22(17-20)23(18-32-25)19-12-14-29(15-13-19)27(2,3)4/h6-11,17-19H,5,12-16H2,1-4H3,(H,28,30).
What are the key properties of N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide?
N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide has a molecular weight of 450.65 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide is sourced from PubChem (CID 19064626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).