(5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C17H26N2OS — CID 27233300

IUPAC(5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1
InChIInChI=1S/C17H26N2OS/c1-3-19-8-6-14(7-9-19)18-17(20)16-11-13-10-12(2)4-5-15(13)21-16/h11-12,14H,3-10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyDMSMOHGTFXOIBZ-GFCCVEGCSA-N
MW306.47 g/mol
LogP3.09
Rot. Bonds3

About (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

(5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 27233300) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID27233300
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name(5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1
InChIInChI=1S/C17H26N2OS/c1-3-19-8-6-14(7-9-19)18-17(20)16-11-13-10-12(2)4-5-15(13)21-16/h11-12,14H,3-10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyDMSMOHGTFXOIBZ-GFCCVEGCSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46433872
(4-ethylpiperazin-1-yl)-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 27233410
(4-ethylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]methanone
CID 27233412
(5S)-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 52503977
methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7987070
(5S)-5-methyl-N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 52910555
5-methyl-N-[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 169410636
5-methyl-N-(pentan-3-ylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556263
N-(4-hydroxybutyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106843000
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 134026876
1-cyclohexyl-3-[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]thiourea
CID 7945400
N-(2-amino-2-methylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119626559

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 27233300) is (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1.
What is the InChIKey of (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is DMSMOHGTFXOIBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-19-8-6-14(7-9-19)18-17(20)16-11-13-10-12(2)4-5-15(13)21-16/h11-12,14H,3-10H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
(5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(1-ethylpiperidin-4-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27233300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).