N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

C21H27N3O3S — CID 2814376

IUPACN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKeyPGLUPFDXMXYLKD-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.74
Rot. Bonds7

About N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 2814376) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID2814376
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKeyPGLUPFDXMXYLKD-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 2814376) is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1.
What is the InChIKey of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is PGLUPFDXMXYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25).
What are the key properties of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2814376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).