N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide

C21H19N3O2S — CID 156907068

IUPACN-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(C(Cc2ccsc2)C(=O)Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-26-16-8-6-15(7-9-16)18(12-14-10-11-27-13-14)21(25)22-20-17-4-2-3-5-19(17)23-24-20/h2-11,13,18H,12H2,1H3,(H2,22,23,24,25)
InChIKeyDWHIVCKLDUGDHO-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.60
Rot. Bonds6

About N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide

N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide (PubChem CID 156907068) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide
PubChem CID156907068
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(C(Cc2ccsc2)C(=O)Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C21H19N3O2S/c1-26-16-8-6-15(7-9-16)18(12-14-10-11-27-13-14)21(25)22-20-17-4-2-3-5-19(17)23-24-20/h2-11,13,18H,12H2,1H3,(H2,22,23,24,25)
InChIKeyDWHIVCKLDUGDHO-UHFFFAOYSA-N
XLogP4.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide (CID 156907068) is N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide is COc1ccc(C(Cc2ccsc2)C(=O)Nc2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide?
The InChIKey is DWHIVCKLDUGDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-26-16-8-6-15(7-9-16)18(12-14-10-11-27-13-14)21(25)22-20-17-4-2-3-5-19(17)23-24-20/h2-11,13,18H,12H2,1H3,(H2,22,23,24,25).
What are the key properties of N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide?
N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide has a molecular weight of 377.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-(4-methoxyphenyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 156907068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).