3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H30N2O2S — CID 91956435

IUPAC3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)sc2c1CCCC2
InChIInChI=1S/C19H30N2O2S/c1-18(2)10-12(11-19(3,4)21-18)20-17(22)16-15(23-5)13-8-6-7-9-14(13)24-16/h12,21H,6-11H2,1-5H3,(H,20,22)
InChIKeyHDCZGQAFLWDDHG-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.67
Rot. Bonds3

About 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 91956435) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID91956435
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)sc2c1CCCC2
InChIInChI=1S/C19H30N2O2S/c1-18(2)10-12(11-19(3,4)21-18)20-17(22)16-15(23-5)13-8-6-7-9-14(13)24-16/h12,21H,6-11H2,1-5H3,(H,20,22)
InChIKeyHDCZGQAFLWDDHG-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-3-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 100815248
3-methoxy-N-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956489
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
N-[3-(dimethylamino)propyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956538
3-methoxy-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956409
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioic S-acid
CID 88728332
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 91956498
N-[(4-methoxyphenyl)methyl]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 2215150
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 91956435) is 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is COc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)sc2c1CCCC2.
What is the InChIKey of 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is HDCZGQAFLWDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-18(2)10-12(11-19(3,4)21-18)20-17(22)16-15(23-5)13-8-6-7-9-14(13)24-16/h12,21H,6-11H2,1-5H3,(H,20,22).
What are the key properties of 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91956435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).