3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide

C19H23N3O4S — CID 92618942

IUPAC3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCC(=O)NCC(=O)N1CCO[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1
InChIInChI=1S/C19H23N3O4S/c1-12(23)20-10-16(24)22-8-9-26-14(11-22)17-13-6-4-5-7-15(13)27-18(17)19(25)21(2)3/h4-7,14H,8-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyZWBJUUFIIFIXRP-AWEZNQCLSA-N
MW389.48 g/mol
LogP1.64
Rot. Bonds4

About 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide

3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide (PubChem CID 92618942) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
PubChem CID92618942
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
SMILESCC(=O)NCC(=O)N1CCO[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1
InChIInChI=1S/C19H23N3O4S/c1-12(23)20-10-16(24)22-8-9-26-14(11-22)17-13-6-4-5-7-15(13)27-18(17)19(25)21(2)3/h4-7,14H,8-11H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyZWBJUUFIIFIXRP-AWEZNQCLSA-N
XLogP1.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619609
3-(4-acetylmorpholin-2-yl)-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251209
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619469
3-[4-(2-cyclopentylacetyl)morpholin-2-yl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 110251289
3-(4-acetylmorpholin-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 110253943
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
3-[(2R)-4-[2-(azepan-1-yl)acetyl]morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619426
N,N-dimethyl-3-[1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110251107
N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248387
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide (CID 92618942) is 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide is CC(=O)NCC(=O)N1CCO[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1.
What is the InChIKey of 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide?
The InChIKey is ZWBJUUFIIFIXRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12(23)20-10-16(24)22-8-9-26-14(11-22)17-13-6-4-5-7-15(13)27-18(17)19(25)21(2)3/h4-7,14H,8-11H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide?
3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(2-acetamidoacetyl)morpholin-2-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92618942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).