5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H30N2O2S — CID 55370310

IUPAC5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc2c(s1)CCC(C(C)(C)C)C2
InChIInChI=1S/C19H30N2O2S/c1-6-20-17(22)12-21(7-2)18(23)16-11-13-10-14(19(3,4)5)8-9-15(13)24-16/h11,14H,6-10,12H2,1-5H3,(H,20,22)
InChIKeyZTMASANZHUCFQN-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.50
Rot. Bonds5

About 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 55370310) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID55370310
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc2c(s1)CCC(C(C)(C)C)C2
InChIInChI=1S/C19H30N2O2S/c1-6-20-17(22)12-21(7-2)18(23)16-11-13-10-14(19(3,4)5)8-9-15(13)24-16/h11,14H,6-10,12H2,1-5H3,(H,20,22)
InChIKeyZTMASANZHUCFQN-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42908776
(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2118131
N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119584288
5-tert-butyl-N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961630
5-tert-butyl-N-(3-methoxypropyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60593252
N,5-diethyl-N-(2-hydroxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 79376648
[2-(carbamoylamino)-2-oxoethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7652308
[2-(cyclopropylamino)-2-oxoethyl] (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7652361
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 34793458
5-tert-butyl-N-[3-(dimethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 42938402
5-tert-butyl-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 3493825
5-tert-butyl-N-(thian-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60614914

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 55370310) is 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCNC(=O)CN(CC)C(=O)c1cc2c(s1)CCC(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is ZTMASANZHUCFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-6-20-17(22)12-21(7-2)18(23)16-11-13-10-14(19(3,4)5)8-9-15(13)24-16/h11,14H,6-10,12H2,1-5H3,(H,20,22).
What are the key properties of 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55370310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).