5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C20H25N3O2S — CID 42958850

IUPAC5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2c2ccccc2)s1
InChIInChI=1S/C20H25N3O2S/c1-15(24)18-8-9-19(26-18)20(25)21-10-11-23-13-12-22(2)14-17(23)16-6-4-3-5-7-16/h3-9,17H,10-14H2,1-2H3,(H,21,25)
InChIKeyCOSGUVWXTGVXAD-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.67
Rot. Bonds6

About 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 42958850) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID42958850
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2c2ccccc2)s1
InChIInChI=1S/C20H25N3O2S/c1-15(24)18-8-9-19(26-18)20(25)21-10-11-23-13-12-22(2)14-17(23)16-6-4-3-5-7-16/h3-9,17H,10-14H2,1-2H3,(H,21,25)
InChIKeyCOSGUVWXTGVXAD-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 42958850) is 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)NCCN2CCN(C)CC2c2ccccc2)s1.
What is the InChIKey of 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is COSGUVWXTGVXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(24)18-8-9-19(26-18)20(25)21-10-11-23-13-12-22(2)14-17(23)16-6-4-3-5-7-16/h3-9,17H,10-14H2,1-2H3,(H,21,25).
What are the key properties of 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42958850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).