N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide

C24H23N3O3S — CID 110269854

IUPACN-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CN(C(=O)c2cn(C)c3ccccc23)CCO1
InChIInChI=1S/C24H23N3O3S/c1-25-23(28)22-21(16-8-4-6-10-20(16)31-22)19-14-27(11-12-30-19)24(29)17-13-26(2)18-9-5-3-7-15(17)18/h3-10,13,19H,11-12,14H2,1-2H3,(H,25,28)
InChIKeyXFYHWBOHSMKKAV-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.97
Rot. Bonds3

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

N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 110269854) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID110269854
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CN(C(=O)c2cn(C)c3ccccc23)CCO1
InChIInChI=1S/C24H23N3O3S/c1-25-23(28)22-21(16-8-4-6-10-20(16)31-22)19-14-27(11-12-30-19)24(29)17-13-26(2)18-9-5-3-7-15(17)18/h3-10,13,19H,11-12,14H2,1-2H3,(H,25,28)
InChIKeyXFYHWBOHSMKKAV-UHFFFAOYSA-N
XLogP3.97
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110255948
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331
N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619469
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619603
3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 110089958
3-(4-acetylmorpholin-2-yl)-N-tert-butyl-1-benzothiophene-2-carboxamide
CID 110251688
N-(2-methoxyethyl)-3-[(2R)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618595
3-[4-(1,5-dimethylpyrazole-4-carbonyl)morpholin-2-yl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 110251310
(1-methylindol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124998929
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619041

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide (CID 110269854) is N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1C1CN(C(=O)c2cn(C)c3ccccc23)CCO1.
What is the InChIKey of N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is XFYHWBOHSMKKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-25-23(28)22-21(16-8-4-6-10-20(16)31-22)19-14-27(11-12-30-19)24(29)17-13-26(2)18-9-5-3-7-15(17)18/h3-10,13,19H,11-12,14H2,1-2H3,(H,25,28).
What are the key properties of N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide?
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110269854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).