N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide

C26H30N2O2S — CID 98126279

IUPACN-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CCC(CNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H30N2O2S/c1-27-26(30)25-24(21-9-5-6-10-22(21)31-25)20-14-11-19(12-15-20)17-28-23(29)16-13-18-7-3-2-4-8-18/h2-10,19-20H,11-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyNJEIVKWBMVYMBA-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.28
Rot. Bonds7

About N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide

N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 98126279) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID98126279
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CCC(CNC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H30N2O2S/c1-27-26(30)25-24(21-9-5-6-10-22(21)31-25)20-14-11-19(12-15-20)17-28-23(29)16-13-18-7-3-2-4-8-18/h2-10,19-20H,11-17H2,1H3,(H,27,30)(H,28,29)
InChIKeyNJEIVKWBMVYMBA-UHFFFAOYSA-N
XLogP5.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(acetamidomethyl)cyclohexyl]-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 98126422
5-methyl-N-[[4-[2-(methylcarbamoyl)-1-benzothiophen-3-yl]cyclohexyl]methyl]pyrazine-2-carboxamide
CID 98126323
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
3-[4-[(3-methoxypropanoylamino)methyl]cyclohexyl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 98129506
3-[4-(aminomethyl)cyclohexyl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 66509293
3-[4-(acetamidomethyl)cyclohexyl]-N-(1-methylpiperidin-4-yl)-1-benzothiophene-2-carboxamide
CID 98126412
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
3-[(3S)-1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-3-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 95812719
3-phenyl-N-[[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)cyclohexyl]methyl]propanamide
CID 98074501
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide (CID 98126279) is N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1C1CCC(CNC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NJEIVKWBMVYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-27-26(30)25-24(21-9-5-6-10-22(21)31-25)20-14-11-19(12-15-20)17-28-23(29)16-13-18-7-3-2-4-8-18/h2-10,19-20H,11-17H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide?
N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(3-phenylpropanoylamino)methyl]cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 98126279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).