3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid

C23H28N2O3S — CID 69443228

IUPAC3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid
SMILESCN(C)C(=O)CN1c2ccccc2C(C2CCCCC2)C1(C(=O)O)c1ccsc1
InChIInChI=1S/C23H28N2O3S/c1-24(2)20(26)14-25-19-11-7-6-10-18(19)21(16-8-4-3-5-9-16)23(25,22(27)28)17-12-13-29-15-17/h6-7,10-13,15-16,21H,3-5,8-9,14H2,1-2H3,(H,27,28)
InChIKeyRQVQNZXPAIJNOL-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.30
Rot. Bonds5

About 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid

3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid (PubChem CID 69443228) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid
PubChem CID69443228
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid
SMILESCN(C)C(=O)CN1c2ccccc2C(C2CCCCC2)C1(C(=O)O)c1ccsc1
InChIInChI=1S/C23H28N2O3S/c1-24(2)20(26)14-25-19-11-7-6-10-18(19)21(16-8-4-3-5-9-16)23(25,22(27)28)17-12-13-29-15-17/h6-7,10-13,15-16,21H,3-5,8-9,14H2,1-2H3,(H,27,28)
InChIKeyRQVQNZXPAIJNOL-UHFFFAOYSA-N
XLogP4.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid 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-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid (CID 69443228) is 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid is CN(C)C(=O)CN1c2ccccc2C(C2CCCCC2)C1(C(=O)O)c1ccsc1.
What is the InChIKey of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid?
The InChIKey is RQVQNZXPAIJNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-24(2)20(26)14-25-19-11-7-6-10-18(19)21(16-8-4-3-5-9-16)23(25,22(27)28)17-12-13-29-15-17/h6-7,10-13,15-16,21H,3-5,8-9,14H2,1-2H3,(H,27,28).
What are the key properties of 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid?
3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid has a molecular weight of 412.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-3H-indole-2-carboxylic acid is sourced from PubChem (CID 69443228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).