2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

C20H25N3O2S — CID 18115509

IUPAC2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3cc(C)sc3C)CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-14-4-6-17(7-5-14)21-19(24)13-22-8-10-23(11-9-22)20(25)18-12-15(2)26-16(18)3/h4-7,12H,8-11,13H2,1-3H3,(H,21,24)
InChIKeyLEWBUNBPPVUIBH-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.07
Rot. Bonds4

About 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 18115509) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID18115509
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3cc(C)sc3C)CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-14-4-6-17(7-5-14)21-19(24)13-22-8-10-23(11-9-22)20(25)18-12-15(2)26-16(18)3/h4-7,12H,8-11,13H2,1-3H3,(H,21,24)
InChIKeyLEWBUNBPPVUIBH-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 27854744
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747
2-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 60550834
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
CID 162725444

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 18115509) is 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc(C)sc3C)CC2)cc1.
What is the InChIKey of 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is LEWBUNBPPVUIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-4-6-17(7-5-14)21-19(24)13-22-8-10-23(11-9-22)20(25)18-12-15(2)26-16(18)3/h4-7,12H,8-11,13H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18115509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).