2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide

C26H32N2OS — CID 19064722

IUPAC2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide
SMILESCCc1ccccc1C(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1
InChIInChI=1S/C26H32N2OS/c1-4-19-7-5-6-8-22(19)26(29)27-21-9-10-25-23(15-21)24(17-30-25)20-11-13-28(14-12-20)16-18(2)3/h5-10,15,17-18,20H,4,11-14,16H2,1-3H3,(H,27,29)
InChIKeyDCVXQMBYZJSTPO-UHFFFAOYSA-N
MW420.62 g/mol
LogP6.55
Rot. Bonds6

About 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide

2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide (PubChem CID 19064722) has the molecular formula C26H32N2OS and a molecular weight of 420.62 g/mol. Its IUPAC name is 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide
PubChem CID19064722
Molecular FormulaC26H32N2OS
Molecular Weight420.62 g/mol
Exact Mass420.22
IUPAC Name2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide
SMILESCCc1ccccc1C(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1
InChIInChI=1S/C26H32N2OS/c1-4-19-7-5-6-8-22(19)26(29)27-21-9-10-25-23(15-21)24(17-30-25)20-11-13-28(14-12-20)16-18(2)3/h5-10,15,17-18,20H,4,11-14,16H2,1-3H3,(H,27,29)
InChIKeyDCVXQMBYZJSTPO-UHFFFAOYSA-N
XLogP6.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-methyl-3-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]amino]-3-oxopropanoate
CID 19064588
propyl 4-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]amino]-4-oxobutanoate
CID 54476294
N-[3-(1-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-methylsulfonylbenzamide
CID 19064706
N-[3-(1-tert-butylpiperidin-4-yl)-1-benzothiophen-5-yl]-2-propoxybenzamide
CID 19064626
3-cyano-N-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]benzamide
CID 54375494
1-(3-acetylphenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1-benzothiophen-5-yl]urea;3-phenylpropanoic acid
CID 19064560
2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid
CID 115295759
N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzofuran-5-yl]-3-nitrobenzamide
CID 19064680
2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
CID 19064672
2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
CID 19064704
2-propoxyethyl N-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1-benzothiophen-5-yl]carbamate
CID 57251164
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide?
The IUPAC name of 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide (CID 19064722) is 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide.
What is the SMILES notation for 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide?
The canonical SMILES for 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide is CCc1ccccc1C(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1.
What is the InChIKey of 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide?
The InChIKey is DCVXQMBYZJSTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2OS/c1-4-19-7-5-6-8-22(19)26(29)27-21-9-10-25-23(15-21)24(17-30-25)20-11-13-28(14-12-20)16-18(2)3/h5-10,15,17-18,20H,4,11-14,16H2,1-3H3,(H,27,29).
What are the key properties of 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide?
2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide has a molecular weight of 420.62 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]benzamide is sourced from PubChem (CID 19064722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).