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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Related Compounds

N'-hydroxy-N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]octanediamide
CID 162668875
N-(6-(4-methoxyphenyl)-1H-indazol-3-yl)butyramide
CID 22319558
Vegfr2-IN-4
CID 168510234
N-[5-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]-1H-thieno[3,2-c]pyrazol-3-yl]-2-methylpropanamide
CID 178303032
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 135881092
N-{1-[3-(4-Methoxyphenyl)-1H-pyrazol-5-YL]piperidin-3-YL}-2-(thiophen-2-YL)acetamide
CID 91887919
N-{1-[3-(4-Methoxyphenyl)-1H-pyrazol-5-YL]piperidin-3-YL}-2-(thiophen-3-YL)acetamide
CID 91887968
N-{1-[3-(4-Methoxyphenyl)-1H-pyrazol-5-YL]piperidin-4-YL}-2-(thiophen-3-YL)acetamide
CID 91904761
N-[3-[[3-(cyclohexanecarbonylamino)-1H-indazol-6-yl]sulfanyl]phenyl]-3-methoxybenzamide
CID 177641425
3-methoxy-N-[3-[[3-(propanoylamino)-1H-indazol-6-yl]sulfanyl]phenyl]benzamide
CID 177642276
N-[3-[[3-(cyclopentanecarbonylamino)-1H-indazol-6-yl]sulfanyl]phenyl]-3-methoxybenzamide
CID 177642778
N-[3-[[3-(butanoylamino)-1H-indazol-6-yl]sulfanyl]phenyl]-3-methoxybenzamide
CID 177642783

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).