3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide

C20H29N3OS — CID 66509302

IUPAC3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1sc2ccccc2c1C1CCC(CN)CC1
InChIInChI=1S/C20H29N3OS/c1-23(2)12-11-22-20(24)19-18(15-9-7-14(13-21)8-10-15)16-5-3-4-6-17(16)25-19/h3-6,14-15H,7-13,21H2,1-2H3,(H,22,24)
InChIKeyIAFZOVPODQLCKF-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.43
Rot. Bonds6

About 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide

3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 66509302) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID66509302
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1sc2ccccc2c1C1CCC(CN)CC1
InChIInChI=1S/C20H29N3OS/c1-23(2)12-11-22-20(24)19-18(15-9-7-14(13-21)8-10-15)16-5-3-4-6-17(16)25-19/h3-6,14-15H,7-13,21H2,1-2H3,(H,22,24)
InChIKeyIAFZOVPODQLCKF-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide (CID 66509302) is 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide is CN(C)CCNC(=O)c1sc2ccccc2c1C1CCC(CN)CC1.
What is the InChIKey of 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IAFZOVPODQLCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-23(2)12-11-22-20(24)19-18(15-9-7-14(13-21)8-10-15)16-5-3-4-6-17(16)25-19/h3-6,14-15H,7-13,21H2,1-2H3,(H,22,24).
What are the key properties of 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide?
3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66509302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).