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

C24H30N4O2S — CID 92619405

IUPAC3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cnn(C3CCCCC3)c2)CCO1
InChIInChI=1S/C24H30N4O2S/c1-25-24(29)23-22(19-9-5-6-10-21(19)31-23)20-16-27(11-12-30-20)14-17-13-26-28(15-17)18-7-3-2-4-8-18/h5-6,9-10,13,15,18,20H,2-4,7-8,11-12,14,16H2,1H3,(H,25,29)/t20-/m1/s1
InChIKeyKAXCKAICTCFOTB-HXUWFJFHSA-N
MW438.60 g/mol
LogP4.54
Rot. Bonds5

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

3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 92619405) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID92619405
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cnn(C3CCCCC3)c2)CCO1
InChIInChI=1S/C24H30N4O2S/c1-25-24(29)23-22(19-9-5-6-10-21(19)31-23)20-16-27(11-12-30-20)14-17-13-26-28(15-17)18-7-3-2-4-8-18/h5-6,9-10,13,15,18,20H,2-4,7-8,11-12,14,16H2,1H3,(H,25,29)/t20-/m1/s1
InChIKeyKAXCKAICTCFOTB-HXUWFJFHSA-N
XLogP4.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852
3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 110089958
3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 155983033
3-[(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619375
3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619340
3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251301
N-methyl-3-[4-(1-methylindole-3-carbonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110269854
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 92619571
N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251329

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide (CID 92619405) is 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cnn(C3CCCCC3)c2)CCO1.
What is the InChIKey of 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is KAXCKAICTCFOTB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-25-24(29)23-22(19-9-5-6-10-21(19)31-23)20-16-27(11-12-30-20)14-17-13-26-28(15-17)18-7-3-2-4-8-18/h5-6,9-10,13,15,18,20H,2-4,7-8,11-12,14,16H2,1H3,(H,25,29)/t20-/m1/s1.
What are the key properties of 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 92619405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).