2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide

C19H20ClN3OS — CID 17175932

IUPAC2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20ClN3OS/c20-16-8-6-15(7-9-16)14-18(24)21-19(25)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,24,25)
InChIKeyFJUQHJDKWFIKIT-UHFFFAOYSA-N
MW373.91 g/mol
LogP3.11
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide

2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide (PubChem CID 17175932) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide
PubChem CID17175932
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20ClN3OS/c20-16-8-6-15(7-9-16)14-18(24)21-19(25)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,24,25)
InChIKeyFJUQHJDKWFIKIT-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-(4-chlorophenyl)acetamide
CID 4218156
2-[2-(4-chlorophenyl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002113
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
4-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 19654475
N-(4-phenylpiperazine-1-carbothioyl)furan-3-carboxamide
CID 4623489
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[(4-chlorophenyl)methyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide
CID 2957852
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide (CID 17175932) is 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide is O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide?
The InChIKey is FJUQHJDKWFIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-16-8-6-15(7-9-16)14-18(24)21-19(25)23-12-10-22(11-13-23)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,21,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide?
2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide has a molecular weight of 373.91 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide is sourced from PubChem (CID 17175932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).