2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide

C22H29N3O2S — CID 39155556

IUPAC2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCCCc1sc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1CC
InChIInChI=1S/C22H29N3O2S/c1-3-8-19-17(4-2)15-20(28-19)22(27)25-13-11-24(12-14-25)16-21(26)23-18-9-6-5-7-10-18/h5-7,9-10,15H,3-4,8,11-14,16H2,1-2H3,(H,23,26)
InChIKeyRJMMPDXEXJUSFK-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.66
Rot. Bonds7

About 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 39155556) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID39155556
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCCCc1sc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1CC
InChIInChI=1S/C22H29N3O2S/c1-3-8-19-17(4-2)15-20(28-19)22(27)25-13-11-24(12-14-25)16-21(26)23-18-9-6-5-7-10-18/h5-7,9-10,15H,3-4,8,11-14,16H2,1-2H3,(H,23,26)
InChIKeyRJMMPDXEXJUSFK-UHFFFAOYSA-N
XLogP3.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 30292798
2-[4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 46511883
(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356
2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 134021901
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 39155556) is 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide is CCCc1sc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1CC.
What is the InChIKey of 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is RJMMPDXEXJUSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-8-19-17(4-2)15-20(28-19)22(27)25-13-11-24(12-14-25)16-21(26)23-18-9-6-5-7-10-18/h5-7,9-10,15H,3-4,8,11-14,16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 399.56 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 39155556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).