N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide

C15H13NO2S2 — CID 100724347

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)c1ccsc1
InChIInChI=1S/C15H13NO2S2/c17-13(7-16-15(18)10-5-6-19-8-10)12-9-20-14-4-2-1-3-11(12)14/h1-6,8-9,13,17H,7H2,(H,16,18)/t13-/m0/s1
InChIKeyWVQJLENEUUEVHK-ZDUSSCGKSA-N
MW303.41 g/mol
LogP3.43
Rot. Bonds4

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide (PubChem CID 100724347) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide
PubChem CID100724347
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)c1ccsc1
InChIInChI=1S/C15H13NO2S2/c17-13(7-16-15(18)10-5-6-19-8-10)12-9-20-14-4-2-1-3-11(12)14/h1-6,8-9,13,17H,7H2,(H,16,18)/t13-/m0/s1
InChIKeyWVQJLENEUUEVHK-ZDUSSCGKSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-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-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide (CID 100724347) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide is O=C(NC[C@H](O)c1csc2ccccc12)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
The InChIKey is WVQJLENEUUEVHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13NO2S2/c17-13(7-16-15(18)10-5-6-19-8-10)12-9-20-14-4-2-1-3-11(12)14/h1-6,8-9,13,17H,7H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]thiophene-3-carboxamide is sourced from PubChem (CID 100724347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).