(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide

C17H20BrN3OS — CID 30643901

IUPAC(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C17H20BrN3OS/c18-15-7-6-14(23-15)12-20-8-10-21(11-9-20)16(17(19)22)13-4-2-1-3-5-13/h1-7,16H,8-12H2,(H2,19,22)/t16-/m0/s1
InChIKeyFUKZBHOABIIWQM-INIZCTEOSA-N
MW394.34 g/mol
LogP2.85
Rot. Bonds5

About (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide

(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 30643901) has the molecular formula C17H20BrN3OS and a molecular weight of 394.34 g/mol. Its IUPAC name is (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID30643901
Molecular FormulaC17H20BrN3OS
Molecular Weight394.34 g/mol
Exact Mass393.05
IUPAC Name(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C17H20BrN3OS/c18-15-7-6-14(23-15)12-20-8-10-21(11-9-20)16(17(19)22)13-4-2-1-3-5-13/h1-7,16H,8-12H2,(H2,19,22)/t16-/m0/s1
InChIKeyFUKZBHOABIIWQM-INIZCTEOSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 55361627
(2R)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 29435317
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 55359604
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
4-[(5-bromothiophen-2-yl)methyl]-N-(2-morpholin-4-yl-1-phenylethyl)piperazine-1-carboxamide
CID 112818030
(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
CID 96547909
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
1-[(5-bromothiophen-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126534
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 55359553
2-methylpropyl 4-[(5-bromothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 55361410
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide (CID 30643901) is (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide is NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FUKZBHOABIIWQM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20BrN3OS/c18-15-7-6-14(23-15)12-20-8-10-21(11-9-20)16(17(19)22)13-4-2-1-3-5-13/h1-7,16H,8-12H2,(H2,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
(2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 394.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 30643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).