N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide

C22H25N3O2S — CID 19484764

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide (PubChem CID 19484764) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
• PubChem CID: 19484764
• Molecular Formula: C22H25N3O2S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.17
• IUPAC Name: N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
• SMILES: C/C=C/c1ccccc1OCc1csc(C(=O)NC(C)c2cnn(C)c2C)c1
• InChI: InChI=1S/C22H25N3O2S/c1-5-8-18-9-6-7-10-20(18)27-13-17-11-21(28-14-17)22(26)24-15(2)19-12-23-25(4)16(19)3/h5-12,14-15H,13H2,1-4H3,(H,24,26)/b8-5+
• InChIKey: JXTPXQXLEBSFCD-VMPITWQZSA-N
• XLogP: 4.89
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide (CID 19484764) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide is C/C=C/c1ccccc1OCc1csc(C(=O)NC(C)c2cnn(C)c2C)c1.

What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide?

The InChIKey is JXTPXQXLEBSFCD-VMPITWQZSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-5-8-18-9-6-7-10-20(18)27-13-17-11-21(28-14-17)22(26)24-15(2)19-12-23-25(4)16(19)3/h5-12,14-15H,13H2,1-4H3,(H,24,26)/b8-5+.

What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide?

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19484764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).