(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C19H28N2O2S — CID 51648241

IUPAC(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3S2)C[C@@H](C)O1
InChIInChI=1S/C19H28N2O2S/c1-13-10-21(11-14(2)23-13)19(3,4)12-20-18(22)17-9-15-7-5-6-8-16(15)24-17/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,22)/t13-,14-,17+/m1/s1
InChIKeyFKJSQGGXXFDYON-CPUCHLNUSA-N
MW348.51 g/mol
LogP2.71
Rot. Bonds4

About (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51648241) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51648241
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3S2)C[C@@H](C)O1
InChIInChI=1S/C19H28N2O2S/c1-13-10-21(11-14(2)23-13)19(3,4)12-20-18(22)17-9-15-7-5-6-8-16(15)24-17/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,22)/t13-,14-,17+/m1/s1
InChIKeyFKJSQGGXXFDYON-CPUCHLNUSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94795916
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
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-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134026774
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 78837230
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide
CID 119839528
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134735

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51648241) is (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3S2)C[C@@H](C)O1.
What is the InChIKey of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is FKJSQGGXXFDYON-CPUCHLNUSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-13-10-21(11-14(2)23-13)19(3,4)12-20-18(22)17-9-15-7-5-6-8-16(15)24-17/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,22)/t13-,14-,17+/m1/s1.
What are the key properties of (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51648241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).