N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide

C24H25N3O2S — CID 95830331

IUPACN-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(C)c3ccccc23)CCO1
InChIInChI=1S/C24H25N3O2S/c1-25-24(28)23-22(18-8-4-6-10-21(18)30-23)20-15-27(11-12-29-20)14-16-13-26(2)19-9-5-3-7-17(16)19/h3-10,13,20H,11-12,14-15H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyNUMIZYAUCMNDJV-HXUWFJFHSA-N
MW419.55 g/mol
LogP4.33
Rot. Bonds4

About N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide

N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 95830331) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID95830331
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(C)c3ccccc23)CCO1
InChIInChI=1S/C24H25N3O2S/c1-25-24(28)23-22(18-8-4-6-10-21(18)30-23)20-15-27(11-12-29-20)14-16-13-26(2)19-9-5-3-7-17(16)19/h3-10,13,20H,11-12,14-15H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyNUMIZYAUCMNDJV-HXUWFJFHSA-N
XLogP4.33
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 110089958
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 92619405
3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251301
3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 155983033
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852
N,N-dimethyl-3-[(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812584
3-[(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619375
[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 110251305
3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619340

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 95830331) is N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(C)c3ccccc23)CCO1.
What is the InChIKey of N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is NUMIZYAUCMNDJV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-25-24(28)23-22(18-8-4-6-10-21(18)30-23)20-15-27(11-12-29-20)14-16-13-26(2)19-9-5-3-7-17(16)19/h3-10,13,20H,11-12,14-15H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide?
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95830331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).