(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H23N3O3S — CID 95322137

IUPAC(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)[C@H]1Cc2ccccc2S1)NCCN1CCOCC1
InChIInChI=1S/C17H23N3O3S/c21-16(18-5-6-20-7-9-23-10-8-20)12-19-17(22)15-11-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyAQWXLGXBYPQBCK-OAHLLOKOSA-N
MW349.46 g/mol
LogP0.27
Rot. Bonds6

About (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 95322137) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID95322137
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)[C@H]1Cc2ccccc2S1)NCCN1CCOCC1
InChIInChI=1S/C17H23N3O3S/c21-16(18-5-6-20-7-9-23-10-8-20)12-19-17(22)15-11-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyAQWXLGXBYPQBCK-OAHLLOKOSA-N
XLogP0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 77086366
1-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823466
4-(2-chlorophenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-oxobutanamide
CID 110625338

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 95322137) is (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(CNC(=O)[C@H]1Cc2ccccc2S1)NCCN1CCOCC1.
What is the InChIKey of (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is AQWXLGXBYPQBCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-16(18-5-6-20-7-9-23-10-8-20)12-19-17(22)15-11-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2,(H,18,21)(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95322137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).