N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide

C23H19N3OS2 — CID 59024367

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C23H19N3OS2/c27-22(9-3-6-18-7-4-10-28-18)25-17-11-16-14-24-26-23(16)19(13-17)21-12-15-5-1-2-8-20(15)29-21/h1-2,4-5,7-8,10-14H,3,6,9H2,(H,24,26)(H,25,27)
InChIKeyFSNXRMUSZPJXLO-UHFFFAOYSA-N
MW417.56 g/mol
LogP6.47
Rot. Bonds6

About N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide (PubChem CID 59024367) has the molecular formula C23H19N3OS2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide
PubChem CID59024367
Molecular FormulaC23H19N3OS2
Molecular Weight417.56 g/mol
Exact Mass417.10
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C23H19N3OS2/c27-22(9-3-6-18-7-4-10-28-18)25-17-11-16-14-24-26-23(16)19(13-17)21-12-15-5-1-2-8-20(15)29-21/h1-2,4-5,7-8,10-14H,3,6,9H2,(H,24,26)(H,25,27)
InChIKeyFSNXRMUSZPJXLO-UHFFFAOYSA-N
XLogP6.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-4-phenylbutanamide
CID 59024352
N'-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]oxamide
CID 59024181
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,1-bis(2-hydroxyethyl)urea
CID 59023932
3-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-[3-(dimethylamino)propyl]-1-methylurea
CID 59024041
4-acetyl-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]benzamide
CID 59023989
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2-(3,6-dioxopiperazin-2-yl)acetamide
CID 59024005
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-2,1,3-benzoxadiazole-5-carboxamide
CID 59024280
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 59024430
2-N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1,3,5-triazine-2,4,6-triamine
CID 59023718
7-(1-benzothiophen-2-yl)-N-(1H-indazol-6-yl)-1H-indazole-5-carboxamide
CID 59024311
methyl N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-N-sulfanylcarbamate
CID 87152416

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide (CID 59024367) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is FSNXRMUSZPJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS2/c27-22(9-3-6-18-7-4-10-28-18)25-17-11-16-14-24-26-23(16)19(13-17)21-12-15-5-1-2-8-20(15)29-21/h1-2,4-5,7-8,10-14H,3,6,9H2,(H,24,26)(H,25,27).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 417.56 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 59024367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).