3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide

C18H19N3O2S — CID 53163516

IUPAC3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(-c3ccn[nH]3)sc2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-12-16(11-17(24-12)15-9-10-19-21-15)20-18(22)8-5-13-3-6-14(23-2)7-4-13/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXPSZSBOCZKEYMO-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.03
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide

3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide (PubChem CID 53163516) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide
PubChem CID53163516
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(-c3ccn[nH]3)sc2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-12-16(11-17(24-12)15-9-10-19-21-15)20-18(22)8-5-13-3-6-14(23-2)7-4-13/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXPSZSBOCZKEYMO-UHFFFAOYSA-N
XLogP4.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide (CID 53163516) is 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide is COc1ccc(CCC(=O)Nc2cc(-c3ccn[nH]3)sc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide?
The InChIKey is XPSZSBOCZKEYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-16(11-17(24-12)15-9-10-19-21-15)20-18(22)8-5-13-3-6-14(23-2)7-4-13/h3-4,6-7,9-11H,5,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide?
3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide has a molecular weight of 341.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]propanamide is sourced from PubChem (CID 53163516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).