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

C17H18BrN3O2S — CID 3239561

IUPACN-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2S/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h1-6,11H,7-10,12H2,(H,19,22)
InChIKeyDKRCUFUCLBTBDH-UHFFFAOYSA-N
MW408.32 g/mol
LogP2.91
Rot. Bonds4

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

N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 3239561) has the molecular formula C17H18BrN3O2S and a molecular weight of 408.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID3239561
Molecular FormulaC17H18BrN3O2S
Molecular Weight408.32 g/mol
Exact Mass407.03
IUPAC NameN-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O2S/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h1-6,11H,7-10,12H2,(H,19,22)
InChIKeyDKRCUFUCLBTBDH-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tibrofan
CID 27448
N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
4-(4,5-Dibromothiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100759
5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 1246592
N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 4785348
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358
N-[4-(4-methyl-1-piperazinyl)phenyl]-2-thiophenecarboxamide
CID 718994
5-bromo-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 1247700
4-(Thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2142327
4,5-dibromo-N-(2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 2563684
N~2~-{2-[4-(2-Fluorophenyl)piperazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 2622886

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 3239561) is N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is DKRCUFUCLBTBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2S/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h1-6,11H,7-10,12H2,(H,19,22).
What are the key properties of N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 408.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3239561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).