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

C19H16N2O2S — CID 121179381

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H16N2O2S/c22-17(14-11-24-18-8-4-2-6-13(14)18)10-20-19(23)16-9-12-5-1-3-7-15(12)21-16/h1-9,11,17,21-22H,10H2,(H,20,23)
InChIKeyVBMBYLOFTCKVIH-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.85
Rot. Bonds4

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

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide (PubChem CID 121179381) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
PubChem CID121179381
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H16N2O2S/c22-17(14-11-24-18-8-4-2-6-13(14)18)10-20-19(23)16-9-12-5-1-3-7-15(12)21-16/h1-9,11,17,21-22H,10H2,(H,20,23)
InChIKeyVBMBYLOFTCKVIH-UHFFFAOYSA-N
XLogP3.85
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 166368235
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 100725505
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-methyl-3-nitrobenzamide
CID 121179411

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide (CID 121179381) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide is O=C(NCC(O)c1csc2ccccc12)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide?
The InChIKey is VBMBYLOFTCKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-17(14-11-24-18-8-4-2-6-13(14)18)10-20-19(23)16-9-12-5-1-3-7-15(12)21-16/h1-9,11,17,21-22H,10H2,(H,20,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 121179381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).