N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C23H28N2O4S — CID 24647082

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2Cc3ccccc3S2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H28N2O4S/c1-27-19-8-7-16(13-20(19)28-2)18(25-9-11-29-12-10-25)15-24-23(26)22-14-17-5-3-4-6-21(17)30-22/h3-8,13,18,22H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyABGMIBCBOKAHGO-UHFFFAOYSA-N
MW428.55 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 24647082) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID24647082
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2Cc3ccccc3S2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H28N2O4S/c1-27-19-8-7-16(13-20(19)28-2)18(25-9-11-29-12-10-25)15-24-23(26)22-14-17-5-3-4-6-21(17)30-22/h3-8,13,18,22H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyABGMIBCBOKAHGO-UHFFFAOYSA-N
XLogP2.91
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
CID 119830138
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 119830140
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646232
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111313028
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 24647082) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is COc1ccc(C(CNC(=O)C2Cc3ccccc3S2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is ABGMIBCBOKAHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-27-19-8-7-16(13-20(19)28-2)18(25-9-11-29-12-10-25)15-24-23(26)22-14-17-5-3-4-6-21(17)30-22/h3-8,13,18,22H,9-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 428.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24647082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).