N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C17H17Cl2N3O2S — CID 17491103

IUPACN-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2S/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKeyMZBZYNOBWZFWMK-UHFFFAOYSA-N
MW398.32 g/mol
LogP3.45
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 17491103) has the molecular formula C17H17Cl2N3O2S and a molecular weight of 398.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID17491103
Molecular FormulaC17H17Cl2N3O2S
Molecular Weight398.32 g/mol
Exact Mass397.04
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2S/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23)
InChIKeyMZBZYNOBWZFWMK-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55364689
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 78899895
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
N-(2,4-dichlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78900057
N-(5-chloro-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720879
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 24610695

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 17491103) is N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is MZBZYNOBWZFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h1-4,9-10H,5-8,11H2,(H,20,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 398.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17491103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).