N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide

C20H18N2O2S — CID 166357412

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C20H18N2O2S/c1-12-19(14-7-3-4-8-15(14)22-12)20(24)21-11-16(23)18-10-13-6-2-5-9-17(13)25-18/h2-10,16,22-23H,11H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyAQFJGWYXWRDKAF-INIZCTEOSA-N
MW350.44 g/mol
LogP4.15
Rot. Bonds4

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 166357412) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID166357412
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NC[C@H](O)c1cc2ccccc2s1
InChIInChI=1S/C20H18N2O2S/c1-12-19(14-7-3-4-8-15(14)22-12)20(24)21-11-16(23)18-10-13-6-2-5-9-17(13)25-18/h2-10,16,22-23H,11H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyAQFJGWYXWRDKAF-INIZCTEOSA-N
XLogP4.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-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 N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide (CID 166357412) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NC[C@H](O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is AQFJGWYXWRDKAF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-12-19(14-7-3-4-8-15(14)22-12)20(24)21-11-16(23)18-10-13-6-2-5-9-17(13)25-18/h2-10,16,22-23H,11H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 166357412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).