N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide

C18H15N3O2S — CID 22260643

IUPACN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide
SMILESCOc1c(NC(C)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C18H15N3O2S/c1-10(22)19-13-8-7-12-16(18(13)23-2)17(21-20-12)15-9-11-5-3-4-6-14(11)24-15/h3-9H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIZOIEKYZNSQYFP-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.41
Rot. Bonds3

About N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide

N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide (PubChem CID 22260643) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide
PubChem CID22260643
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide
SMILESCOc1c(NC(C)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C18H15N3O2S/c1-10(22)19-13-8-7-12-16(18(13)23-2)17(21-20-12)15-9-11-5-3-4-6-14(11)24-15/h3-9H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIZOIEKYZNSQYFP-UHFFFAOYSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide (CID 22260643) is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide is COc1c(NC(C)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide?
The InChIKey is IZOIEKYZNSQYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10(22)19-13-8-7-12-16(18(13)23-2)17(21-20-12)15-9-11-5-3-4-6-14(11)24-15/h3-9H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide?
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide has a molecular weight of 337.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 22260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).