(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H24N2OS — CID 94795916

IUPAC(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C16H24N2OS/c1-16(2,11-18(3)4)10-17-15(19)14-9-12-7-5-6-8-13(12)20-14/h5-8,14H,9-11H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyMMPUHKNVABMYQE-CQSZACIVSA-N
MW292.45 g/mol
LogP2.41
Rot. Bonds5

About (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 94795916) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID94795916
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C16H24N2OS/c1-16(2,11-18(3)4)10-17-15(19)14-9-12-7-5-6-8-13(12)20-14/h5-8,14H,9-11H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyMMPUHKNVABMYQE-CQSZACIVSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51648241
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 43500635
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18140584
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[3-[benzyl(methyl)amino]propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42896202
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309548
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114313238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 94795916) is (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is CN(C)CC(C)(C)CNC(=O)[C@H]1Cc2ccccc2S1.
What is the InChIKey of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is MMPUHKNVABMYQE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2,11-18(3)4)10-17-15(19)14-9-12-7-5-6-8-13(12)20-14/h5-8,14H,9-11H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 94795916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).